USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 889 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 THR OG1 : rot -142:sc= 0.403 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.538 X(o=0.94,f=1) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -114:sc= 0.0416 (180deg=-0.182) USER MOD Set 2.2: A 66 THR OG1 : rot 170:sc= 0.319 USER MOD Set 3.1: A 5 THR OG1 : rot 180:sc= 0.777 USER MOD Set 3.2: A 6 GLN : amide:sc= 0.846 K(o=1.6,f=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.42 (180deg=0.799) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 176:sc= -0.188 (180deg=-0.214) USER MOD Single : A 19 MET CE :methyl -130:sc= -0.0196 (180deg=-0.484) USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= 1.16 (180deg=0.624) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 166:sc= 1.11 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0.642 K(o=0.64,f=-0.31) USER MOD Single : A 65 SER OG : rot 120:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -158:sc= -0.0997 (180deg=-0.595) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0533 USER MOD Single : A 106 MET CE :methyl -172:sc= -2.62! (180deg=-2.96!) USER MOD Single : A 111 LYS NZ :NH3+ 161:sc= -0.0414 (180deg=-0.425) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.192 2.286 -6.155 1.00 0.00 N ATOM 2 CA MET A 1 2.449 1.566 -5.869 1.00 0.00 C ATOM 3 C MET A 1 3.289 2.326 -4.849 1.00 0.00 C ATOM 4 O MET A 1 3.072 3.519 -4.629 1.00 0.00 O ATOM 5 CB MET A 1 3.259 1.324 -7.146 1.00 0.00 C ATOM 6 CG MET A 1 2.537 0.351 -8.083 1.00 0.00 C ATOM 7 SD MET A 1 1.114 1.058 -8.951 1.00 0.00 S ATOM 8 CE MET A 1 0.561 -0.418 -9.840 1.00 0.00 C ATOM 0 H1 MET A 1 0.991 2.242 -7.174 1.00 0.00 H new ATOM 0 H2 MET A 1 0.411 1.844 -5.629 1.00 0.00 H new ATOM 0 H3 MET A 1 1.287 3.280 -5.864 1.00 0.00 H new ATOM 0 HA MET A 1 2.181 0.596 -5.449 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.426 2.271 -7.659 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.240 0.924 -6.888 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.249 -0.019 -8.821 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.202 -0.510 -7.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.318 -0.175 -10.437 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.359 -0.769 -10.495 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.308 -1.200 -9.124 1.00 0.00 H new ATOM 20 N SER A 2 4.252 1.638 -4.229 1.00 0.00 N ATOM 21 CA SER A 2 5.138 2.247 -3.247 1.00 0.00 C ATOM 22 C SER A 2 6.072 3.258 -3.908 1.00 0.00 C ATOM 23 O SER A 2 6.229 3.264 -5.129 1.00 0.00 O ATOM 24 CB SER A 2 5.941 1.151 -2.548 1.00 0.00 C ATOM 25 OG SER A 2 5.068 0.283 -1.856 1.00 0.00 O ATOM 0 H SER A 2 4.435 0.648 -4.396 1.00 0.00 H new ATOM 0 HA SER A 2 4.539 2.783 -2.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.521 0.590 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.652 1.597 -1.852 1.00 0.00 H new ATOM 0 HG SER A 2 5.588 -0.418 -1.411 1.00 0.00 H new ATOM 31 N ALA A 3 6.697 4.115 -3.094 1.00 0.00 N ATOM 32 CA ALA A 3 7.609 5.138 -3.581 1.00 0.00 C ATOM 33 C ALA A 3 8.978 4.549 -3.940 1.00 0.00 C ATOM 34 O ALA A 3 9.894 5.291 -4.285 1.00 0.00 O ATOM 35 CB ALA A 3 7.753 6.223 -2.517 1.00 0.00 C ATOM 0 H ALA A 3 6.581 4.114 -2.081 1.00 0.00 H new ATOM 0 HA ALA A 3 7.197 5.569 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.435 6.994 -2.874 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.778 6.666 -2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 3 8.149 5.784 -1.601 1.00 0.00 H new ATOM 41 N LEU A 4 9.118 3.224 -3.856 1.00 0.00 N ATOM 42 CA LEU A 4 10.375 2.551 -4.144 1.00 0.00 C ATOM 43 C LEU A 4 10.098 1.136 -4.646 1.00 0.00 C ATOM 44 O LEU A 4 9.854 0.230 -3.851 1.00 0.00 O ATOM 45 CB LEU A 4 11.230 2.543 -2.869 1.00 0.00 C ATOM 46 CG LEU A 4 12.456 1.626 -2.978 1.00 0.00 C ATOM 47 CD1 LEU A 4 13.301 1.999 -4.193 1.00 0.00 C ATOM 48 CD2 LEU A 4 13.314 1.786 -1.725 1.00 0.00 C ATOM 0 H LEU A 4 8.362 2.594 -3.587 1.00 0.00 H new ATOM 0 HA LEU A 4 10.922 3.076 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.560 3.559 -2.653 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.616 2.222 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 4 12.112 0.597 -3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 4 14.165 1.337 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 4 12.702 1.896 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 4 13.640 3.031 -4.098 1.00 0.00 H new ATOM 0 HD21 LEU A 4 14.187 1.137 -1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.639 2.823 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 4 12.730 1.513 -0.846 1.00 0.00 H new ATOM 60 N THR A 5 10.140 0.954 -5.968 1.00 0.00 N ATOM 61 CA THR A 5 9.954 -0.350 -6.593 1.00 0.00 C ATOM 62 C THR A 5 10.869 -0.576 -7.794 1.00 0.00 C ATOM 63 O THR A 5 11.259 -1.711 -8.060 1.00 0.00 O ATOM 64 CB THR A 5 8.483 -0.586 -6.970 1.00 0.00 C ATOM 65 OG1 THR A 5 8.204 0.045 -8.199 1.00 0.00 O ATOM 66 CG2 THR A 5 7.511 -0.054 -5.918 1.00 0.00 C ATOM 0 H THR A 5 10.304 1.710 -6.633 1.00 0.00 H new ATOM 0 HA THR A 5 10.240 -1.087 -5.843 1.00 0.00 H new ATOM 0 HB THR A 5 8.343 -1.665 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.266 -0.107 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.487 -0.248 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.695 -0.553 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.656 1.020 -5.798 1.00 0.00 H new ATOM 74 N GLN A 6 11.223 0.488 -8.521 1.00 0.00 N ATOM 75 CA GLN A 6 12.119 0.373 -9.664 1.00 0.00 C ATOM 76 C GLN A 6 13.556 0.353 -9.159 1.00 0.00 C ATOM 77 O GLN A 6 14.067 1.381 -8.721 1.00 0.00 O ATOM 78 CB GLN A 6 11.895 1.547 -10.625 1.00 0.00 C ATOM 79 CG GLN A 6 10.415 1.707 -10.993 1.00 0.00 C ATOM 80 CD GLN A 6 9.848 0.464 -11.663 1.00 0.00 C ATOM 81 OE1 GLN A 6 10.160 0.173 -12.814 1.00 0.00 O ATOM 82 NE2 GLN A 6 9.008 -0.277 -10.945 1.00 0.00 N ATOM 0 H GLN A 6 10.900 1.437 -8.334 1.00 0.00 H new ATOM 0 HA GLN A 6 11.917 -0.550 -10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.257 2.467 -10.166 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.480 1.392 -11.531 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.841 1.925 -10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 6 10.299 2.561 -11.660 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.773 -0.002 -9.991 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.599 -1.120 -11.348 1.00 0.00 H new ATOM 91 N ILE A 7 14.214 -0.809 -9.212 1.00 0.00 N ATOM 92 CA ILE A 7 15.572 -0.933 -8.699 1.00 0.00 C ATOM 93 C ILE A 7 16.490 -1.587 -9.722 1.00 0.00 C ATOM 94 O ILE A 7 16.132 -2.597 -10.328 1.00 0.00 O ATOM 95 CB ILE A 7 15.556 -1.691 -7.365 1.00 0.00 C ATOM 96 CG1 ILE A 7 14.793 -0.842 -6.336 1.00 0.00 C ATOM 97 CG2 ILE A 7 16.992 -1.951 -6.888 1.00 0.00 C ATOM 98 CD1 ILE A 7 14.850 -1.437 -4.929 1.00 0.00 C ATOM 0 H ILE A 7 13.828 -1.668 -9.603 1.00 0.00 H new ATOM 0 HA ILE A 7 15.975 0.063 -8.515 1.00 0.00 H new ATOM 0 HB ILE A 7 15.062 -2.655 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 7 15.211 0.165 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 7 13.752 -0.750 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 7 16.969 -2.489 -5.941 1.00 0.00 H new ATOM 0 HG22 ILE A 7 17.520 -2.548 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 7 17.508 -1.001 -6.753 1.00 0.00 H new ATOM 0 HD11 ILE A 7 14.296 -0.799 -4.241 1.00 0.00 H new ATOM 0 HD12 ILE A 7 14.407 -2.433 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.888 -1.504 -4.604 1.00 0.00 H new ATOM 110 N LEU A 8 17.682 -1.008 -9.907 1.00 0.00 N ATOM 111 CA LEU A 8 18.713 -1.581 -10.759 1.00 0.00 C ATOM 112 C LEU A 8 19.694 -2.392 -9.916 1.00 0.00 C ATOM 113 O LEU A 8 19.871 -2.120 -8.729 1.00 0.00 O ATOM 114 CB LEU A 8 19.450 -0.475 -11.524 1.00 0.00 C ATOM 115 CG LEU A 8 20.139 -1.063 -12.766 1.00 0.00 C ATOM 116 CD1 LEU A 8 19.201 -0.974 -13.967 1.00 0.00 C ATOM 117 CD2 LEU A 8 21.426 -0.312 -13.094 1.00 0.00 C ATOM 0 H LEU A 8 17.952 -0.128 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 8 18.242 -2.244 -11.485 1.00 0.00 H new ATOM 0 HB2 LEU A 8 18.747 0.303 -11.822 1.00 0.00 H new ATOM 0 HB3 LEU A 8 20.190 -0.005 -10.876 1.00 0.00 H new ATOM 0 HG LEU A 8 20.383 -2.103 -12.550 1.00 0.00 H new ATOM 0 HD11 LEU A 8 19.693 -1.392 -14.845 1.00 0.00 H new ATOM 0 HD12 LEU A 8 18.290 -1.536 -13.760 1.00 0.00 H new ATOM 0 HD13 LEU A 8 18.948 0.070 -14.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 21.889 -0.752 -13.977 1.00 0.00 H new ATOM 0 HD22 LEU A 8 21.196 0.736 -13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 8 22.113 -0.382 -12.251 1.00 0.00 H new ATOM 129 N ILE A 9 20.334 -3.387 -10.529 1.00 0.00 N ATOM 130 CA ILE A 9 21.335 -4.205 -9.866 1.00 0.00 C ATOM 131 C ILE A 9 22.613 -4.201 -10.693 1.00 0.00 C ATOM 132 O ILE A 9 22.564 -4.204 -11.923 1.00 0.00 O ATOM 133 CB ILE A 9 20.797 -5.629 -9.677 1.00 0.00 C ATOM 134 CG1 ILE A 9 19.511 -5.627 -8.837 1.00 0.00 C ATOM 135 CG2 ILE A 9 21.853 -6.510 -9.006 1.00 0.00 C ATOM 136 CD1 ILE A 9 18.773 -6.956 -8.997 1.00 0.00 C ATOM 0 H ILE A 9 20.169 -3.645 -11.502 1.00 0.00 H new ATOM 0 HA ILE A 9 21.560 -3.797 -8.881 1.00 0.00 H new ATOM 0 HB ILE A 9 20.564 -6.033 -10.662 1.00 0.00 H new ATOM 0 HG12 ILE A 9 19.754 -5.462 -7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 9 18.866 -4.805 -9.148 1.00 0.00 H new ATOM 0 HG21 ILE A 9 21.458 -7.518 -8.878 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.746 -6.547 -9.630 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.108 -6.094 -8.031 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.863 -6.942 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 9 18.514 -7.104 -10.045 1.00 0.00 H new ATOM 0 HD13 ILE A 9 19.415 -7.771 -8.663 1.00 0.00 H new ATOM 148 N VAL A 10 23.760 -4.198 -10.013 1.00 0.00 N ATOM 149 CA VAL A 10 25.054 -4.277 -10.665 1.00 0.00 C ATOM 150 C VAL A 10 25.927 -5.277 -9.924 1.00 0.00 C ATOM 151 O VAL A 10 26.261 -5.071 -8.758 1.00 0.00 O ATOM 152 CB VAL A 10 25.714 -2.896 -10.754 1.00 0.00 C ATOM 153 CG1 VAL A 10 26.950 -2.966 -11.648 1.00 0.00 C ATOM 154 CG2 VAL A 10 24.745 -1.854 -11.321 1.00 0.00 C ATOM 0 H VAL A 10 23.811 -4.141 -8.996 1.00 0.00 H new ATOM 0 HA VAL A 10 24.922 -4.624 -11.690 1.00 0.00 H new ATOM 0 HB VAL A 10 25.999 -2.597 -9.745 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.413 -1.981 -11.706 1.00 0.00 H new ATOM 0 HG12 VAL A 10 27.662 -3.678 -11.230 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.658 -3.289 -12.647 1.00 0.00 H new ATOM 0 HG21 VAL A 10 25.242 -0.885 -11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 10 24.432 -2.154 -12.321 1.00 0.00 H new ATOM 0 HG23 VAL A 10 23.871 -1.780 -10.674 1.00 0.00 H new ATOM 164 N GLU A 11 26.284 -6.357 -10.615 1.00 0.00 N ATOM 165 CA GLU A 11 27.053 -7.457 -10.053 1.00 0.00 C ATOM 166 C GLU A 11 27.817 -8.179 -11.158 1.00 0.00 C ATOM 167 O GLU A 11 27.489 -8.042 -12.337 1.00 0.00 O ATOM 168 CB GLU A 11 26.102 -8.433 -9.349 1.00 0.00 C ATOM 169 CG GLU A 11 26.169 -8.280 -7.826 1.00 0.00 C ATOM 170 CD GLU A 11 27.499 -8.772 -7.256 1.00 0.00 C ATOM 171 OE1 GLU A 11 27.753 -8.477 -6.068 1.00 0.00 O ATOM 172 OE2 GLU A 11 28.249 -9.438 -8.008 1.00 0.00 O ATOM 0 H GLU A 11 26.042 -6.492 -11.597 1.00 0.00 H new ATOM 0 HA GLU A 11 27.770 -7.065 -9.331 1.00 0.00 H new ATOM 0 HB2 GLU A 11 25.081 -8.258 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 26.359 -9.456 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.027 -7.232 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 11 25.351 -8.838 -7.370 1.00 0.00 H new ATOM 179 N ASP A 12 28.836 -8.953 -10.779 1.00 0.00 N ATOM 180 CA ASP A 12 29.577 -9.769 -11.727 1.00 0.00 C ATOM 181 C ASP A 12 29.572 -11.237 -11.283 1.00 0.00 C ATOM 182 O ASP A 12 30.061 -12.102 -12.012 1.00 0.00 O ATOM 183 CB ASP A 12 31.003 -9.227 -11.893 1.00 0.00 C ATOM 184 CG ASP A 12 31.855 -9.316 -10.628 1.00 0.00 C ATOM 185 OD1 ASP A 12 31.336 -9.783 -9.589 1.00 0.00 O ATOM 186 OD2 ASP A 12 33.036 -8.912 -10.717 1.00 0.00 O ATOM 0 H ASP A 12 29.164 -9.028 -9.816 1.00 0.00 H new ATOM 0 HA ASP A 12 29.090 -9.719 -12.701 1.00 0.00 H new ATOM 0 HB2 ASP A 12 31.499 -9.778 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 12 30.950 -8.185 -12.210 1.00 0.00 H new ATOM 191 N GLU A 13 29.019 -11.528 -10.099 1.00 0.00 N ATOM 192 CA GLU A 13 28.831 -12.898 -9.650 1.00 0.00 C ATOM 193 C GLU A 13 27.422 -13.356 -10.025 1.00 0.00 C ATOM 194 O GLU A 13 26.462 -12.615 -9.804 1.00 0.00 O ATOM 195 CB GLU A 13 29.047 -12.977 -8.134 1.00 0.00 C ATOM 196 CG GLU A 13 28.937 -14.427 -7.661 1.00 0.00 C ATOM 197 CD GLU A 13 29.385 -14.596 -6.206 1.00 0.00 C ATOM 198 OE1 GLU A 13 29.215 -15.722 -5.687 1.00 0.00 O ATOM 199 OE2 GLU A 13 29.886 -13.606 -5.628 1.00 0.00 O ATOM 0 H GLU A 13 28.695 -10.823 -9.437 1.00 0.00 H new ATOM 0 HA GLU A 13 29.555 -13.555 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 13 30.028 -12.576 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.307 -12.362 -7.621 1.00 0.00 H new ATOM 0 HG2 GLU A 13 27.905 -14.764 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 13 29.545 -15.064 -8.303 1.00 0.00 H new ATOM 206 N PRO A 14 27.266 -14.566 -10.586 1.00 0.00 N ATOM 207 CA PRO A 14 25.973 -15.062 -11.023 1.00 0.00 C ATOM 208 C PRO A 14 24.986 -15.182 -9.864 1.00 0.00 C ATOM 209 O PRO A 14 23.814 -14.845 -10.010 1.00 0.00 O ATOM 210 CB PRO A 14 26.243 -16.443 -11.631 1.00 0.00 C ATOM 211 CG PRO A 14 27.740 -16.447 -11.934 1.00 0.00 C ATOM 212 CD PRO A 14 28.325 -15.506 -10.887 1.00 0.00 C ATOM 0 HA PRO A 14 25.520 -14.375 -11.738 1.00 0.00 H new ATOM 0 HB2 PRO A 14 25.977 -17.240 -10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 14 25.655 -16.599 -12.536 1.00 0.00 H new ATOM 0 HG2 PRO A 14 28.162 -17.449 -11.852 1.00 0.00 H new ATOM 0 HG3 PRO A 14 27.944 -16.097 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 14 28.632 -16.052 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO A 14 29.209 -14.994 -11.268 1.00 0.00 H new ATOM 220 N LEU A 15 25.466 -15.664 -8.714 1.00 0.00 N ATOM 221 CA LEU A 15 24.613 -15.952 -7.570 1.00 0.00 C ATOM 222 C LEU A 15 24.051 -14.677 -6.961 1.00 0.00 C ATOM 223 O LEU A 15 22.849 -14.590 -6.724 1.00 0.00 O ATOM 224 CB LEU A 15 25.418 -16.714 -6.515 1.00 0.00 C ATOM 225 CG LEU A 15 25.418 -18.213 -6.819 1.00 0.00 C ATOM 226 CD1 LEU A 15 26.465 -18.898 -5.950 1.00 0.00 C ATOM 227 CD2 LEU A 15 24.050 -18.808 -6.489 1.00 0.00 C ATOM 0 H LEU A 15 26.454 -15.863 -8.556 1.00 0.00 H new ATOM 0 HA LEU A 15 23.775 -16.559 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 15 26.442 -16.342 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 15 24.992 -16.537 -5.527 1.00 0.00 H new ATOM 0 HG LEU A 15 25.641 -18.364 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.470 -19.967 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 15 27.448 -18.480 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 15 26.227 -18.737 -4.899 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.055 -19.876 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.832 -18.655 -5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.285 -18.318 -7.092 1.00 0.00 H new ATOM 239 N ILE A 16 24.903 -13.686 -6.704 1.00 0.00 N ATOM 240 CA ILE A 16 24.451 -12.484 -6.020 1.00 0.00 C ATOM 241 C ILE A 16 23.506 -11.692 -6.921 1.00 0.00 C ATOM 242 O ILE A 16 22.655 -10.954 -6.431 1.00 0.00 O ATOM 243 CB ILE A 16 25.661 -11.643 -5.598 1.00 0.00 C ATOM 244 CG1 ILE A 16 26.721 -12.504 -4.887 1.00 0.00 C ATOM 245 CG2 ILE A 16 25.205 -10.502 -4.685 1.00 0.00 C ATOM 246 CD1 ILE A 16 26.163 -13.223 -3.655 1.00 0.00 C ATOM 0 H ILE A 16 25.892 -13.693 -6.955 1.00 0.00 H new ATOM 0 HA ILE A 16 23.900 -12.760 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 16 26.118 -11.227 -6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 16 27.114 -13.241 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 16 27.557 -11.872 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 16 26.068 -9.907 -4.387 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.495 -9.870 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 16 24.726 -10.915 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 16 26.952 -13.816 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 16 25.794 -12.487 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 16 25.345 -13.878 -3.955 1.00 0.00 H new ATOM 258 N ALA A 17 23.645 -11.845 -8.239 1.00 0.00 N ATOM 259 CA ALA A 17 22.778 -11.161 -9.182 1.00 0.00 C ATOM 260 C ALA A 17 21.383 -11.787 -9.193 1.00 0.00 C ATOM 261 O ALA A 17 20.388 -11.069 -9.159 1.00 0.00 O ATOM 262 CB ALA A 17 23.410 -11.221 -10.573 1.00 0.00 C ATOM 0 H ALA A 17 24.353 -12.439 -8.672 1.00 0.00 H new ATOM 0 HA ALA A 17 22.667 -10.120 -8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.765 -10.710 -11.288 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.385 -10.734 -10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.531 -12.262 -10.873 1.00 0.00 H new ATOM 268 N MET A 18 21.298 -13.122 -9.238 1.00 0.00 N ATOM 269 CA MET A 18 20.005 -13.797 -9.312 1.00 0.00 C ATOM 270 C MET A 18 19.296 -13.768 -7.958 1.00 0.00 C ATOM 271 O MET A 18 18.069 -13.815 -7.903 1.00 0.00 O ATOM 272 CB MET A 18 20.198 -15.240 -9.797 1.00 0.00 C ATOM 273 CG MET A 18 21.005 -16.078 -8.800 1.00 0.00 C ATOM 274 SD MET A 18 21.137 -17.831 -9.241 1.00 0.00 S ATOM 275 CE MET A 18 22.152 -17.694 -10.733 1.00 0.00 C ATOM 0 H MET A 18 22.103 -13.748 -9.224 1.00 0.00 H new ATOM 0 HA MET A 18 19.374 -13.268 -10.027 1.00 0.00 H new ATOM 0 HB2 MET A 18 19.224 -15.703 -9.954 1.00 0.00 H new ATOM 0 HB3 MET A 18 20.707 -15.233 -10.761 1.00 0.00 H new ATOM 0 HG2 MET A 18 22.008 -15.659 -8.718 1.00 0.00 H new ATOM 0 HG3 MET A 18 20.544 -15.996 -7.816 1.00 0.00 H new ATOM 0 HE1 MET A 18 22.393 -18.691 -11.102 1.00 0.00 H new ATOM 0 HE2 MET A 18 21.602 -17.147 -11.499 1.00 0.00 H new ATOM 0 HE3 MET A 18 23.074 -17.161 -10.498 1.00 0.00 H new ATOM 285 N MET A 19 20.058 -13.692 -6.863 1.00 0.00 N ATOM 286 CA MET A 19 19.471 -13.616 -5.531 1.00 0.00 C ATOM 287 C MET A 19 18.825 -12.251 -5.306 1.00 0.00 C ATOM 288 O MET A 19 17.800 -12.159 -4.635 1.00 0.00 O ATOM 289 CB MET A 19 20.554 -13.884 -4.482 1.00 0.00 C ATOM 290 CG MET A 19 20.922 -15.371 -4.457 1.00 0.00 C ATOM 291 SD MET A 19 19.574 -16.480 -3.963 1.00 0.00 S ATOM 292 CE MET A 19 19.383 -15.964 -2.238 1.00 0.00 C ATOM 0 H MET A 19 21.078 -13.682 -6.877 1.00 0.00 H new ATOM 0 HA MET A 19 18.692 -14.373 -5.439 1.00 0.00 H new ATOM 0 HB2 MET A 19 21.439 -13.288 -4.704 1.00 0.00 H new ATOM 0 HB3 MET A 19 20.200 -13.574 -3.499 1.00 0.00 H new ATOM 0 HG2 MET A 19 21.268 -15.662 -5.449 1.00 0.00 H new ATOM 0 HG3 MET A 19 21.759 -15.512 -3.773 1.00 0.00 H new ATOM 0 HE1 MET A 19 19.385 -16.843 -1.593 1.00 0.00 H new ATOM 0 HE2 MET A 19 20.208 -15.308 -1.961 1.00 0.00 H new ATOM 0 HE3 MET A 19 18.440 -15.430 -2.120 1.00 0.00 H new ATOM 302 N LEU A 20 19.414 -11.189 -5.863 1.00 0.00 N ATOM 303 CA LEU A 20 18.868 -9.847 -5.717 1.00 0.00 C ATOM 304 C LEU A 20 17.621 -9.686 -6.584 1.00 0.00 C ATOM 305 O LEU A 20 16.705 -8.955 -6.212 1.00 0.00 O ATOM 306 CB LEU A 20 19.940 -8.826 -6.112 1.00 0.00 C ATOM 307 CG LEU A 20 21.009 -8.691 -5.023 1.00 0.00 C ATOM 308 CD1 LEU A 20 22.152 -7.820 -5.544 1.00 0.00 C ATOM 309 CD2 LEU A 20 20.425 -8.033 -3.776 1.00 0.00 C ATOM 0 H LEU A 20 20.268 -11.238 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 20 18.579 -9.679 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 20 20.408 -9.131 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 20 19.474 -7.857 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 20 21.372 -9.686 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 20 22.915 -7.721 -4.772 1.00 0.00 H new ATOM 0 HD12 LEU A 20 22.589 -8.284 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 20 21.768 -6.833 -5.803 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.199 -7.946 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 20 20.052 -7.041 -4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 20 19.606 -8.642 -3.393 1.00 0.00 H new ATOM 321 N GLU A 21 17.572 -10.364 -7.735 1.00 0.00 N ATOM 322 CA GLU A 21 16.403 -10.317 -8.604 1.00 0.00 C ATOM 323 C GLU A 21 15.224 -11.047 -7.965 1.00 0.00 C ATOM 324 O GLU A 21 14.072 -10.680 -8.192 1.00 0.00 O ATOM 325 CB GLU A 21 16.747 -10.946 -9.956 1.00 0.00 C ATOM 326 CG GLU A 21 17.732 -10.058 -10.722 1.00 0.00 C ATOM 327 CD GLU A 21 18.257 -10.736 -11.990 1.00 0.00 C ATOM 328 OE1 GLU A 21 19.046 -10.075 -12.703 1.00 0.00 O ATOM 329 OE2 GLU A 21 17.869 -11.899 -12.239 1.00 0.00 O ATOM 0 H GLU A 21 18.331 -10.950 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 21 16.115 -9.276 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 21 17.180 -11.935 -9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.838 -11.083 -10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 21 17.242 -9.122 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.571 -9.805 -10.073 1.00 0.00 H new ATOM 336 N ASP A 22 15.507 -12.079 -7.164 1.00 0.00 N ATOM 337 CA ASP A 22 14.469 -12.856 -6.506 1.00 0.00 C ATOM 338 C ASP A 22 13.873 -12.072 -5.331 1.00 0.00 C ATOM 339 O ASP A 22 12.662 -12.094 -5.116 1.00 0.00 O ATOM 340 CB ASP A 22 15.069 -14.183 -6.035 1.00 0.00 C ATOM 341 CG ASP A 22 14.049 -15.073 -5.323 1.00 0.00 C ATOM 342 OD1 ASP A 22 12.837 -14.901 -5.586 1.00 0.00 O ATOM 343 OD2 ASP A 22 14.497 -15.921 -4.518 1.00 0.00 O ATOM 0 H ASP A 22 16.456 -12.392 -6.959 1.00 0.00 H new ATOM 0 HA ASP A 22 13.660 -13.058 -7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 22 15.475 -14.718 -6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 22 15.902 -13.982 -5.361 1.00 0.00 H new ATOM 348 N PHE A 23 14.724 -11.380 -4.571 1.00 0.00 N ATOM 349 CA PHE A 23 14.271 -10.630 -3.411 1.00 0.00 C ATOM 350 C PHE A 23 13.438 -9.394 -3.738 1.00 0.00 C ATOM 351 O PHE A 23 12.612 -8.977 -2.929 1.00 0.00 O ATOM 352 CB PHE A 23 15.439 -10.289 -2.490 1.00 0.00 C ATOM 353 CG PHE A 23 15.903 -11.451 -1.637 1.00 0.00 C ATOM 354 CD1 PHE A 23 17.245 -11.852 -1.670 1.00 0.00 C ATOM 355 CD2 PHE A 23 14.994 -12.122 -0.807 1.00 0.00 C ATOM 356 CE1 PHE A 23 17.680 -12.918 -0.873 1.00 0.00 C ATOM 357 CE2 PHE A 23 15.426 -13.191 -0.007 1.00 0.00 C ATOM 358 CZ PHE A 23 16.771 -13.589 -0.042 1.00 0.00 C ATOM 0 H PHE A 23 15.728 -11.327 -4.742 1.00 0.00 H new ATOM 0 HA PHE A 23 13.587 -11.296 -2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 23 16.275 -9.937 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 23 15.147 -9.465 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.945 -11.338 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 23 13.959 -11.815 -0.783 1.00 0.00 H new ATOM 0 HE1 PHE A 23 18.716 -13.224 -0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 23 14.725 -13.706 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 23 17.106 -14.412 0.571 1.00 0.00 H new ATOM 368 N LEU A 24 13.640 -8.807 -4.918 1.00 0.00 N ATOM 369 CA LEU A 24 12.852 -7.660 -5.327 1.00 0.00 C ATOM 370 C LEU A 24 11.445 -8.108 -5.712 1.00 0.00 C ATOM 371 O LEU A 24 10.475 -7.419 -5.412 1.00 0.00 O ATOM 372 CB LEU A 24 13.533 -6.963 -6.507 1.00 0.00 C ATOM 373 CG LEU A 24 14.820 -6.255 -6.071 1.00 0.00 C ATOM 374 CD1 LEU A 24 15.511 -5.693 -7.309 1.00 0.00 C ATOM 375 CD2 LEU A 24 14.511 -5.106 -5.114 1.00 0.00 C ATOM 0 H LEU A 24 14.338 -9.109 -5.598 1.00 0.00 H new ATOM 0 HA LEU A 24 12.778 -6.957 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.763 -7.695 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.849 -6.238 -6.948 1.00 0.00 H new ATOM 0 HG LEU A 24 15.462 -6.973 -5.560 1.00 0.00 H new ATOM 0 HD11 LEU A 24 16.430 -5.186 -7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.750 -6.507 -7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.848 -4.984 -7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 24 15.440 -4.619 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.864 -4.383 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 14.008 -5.495 -4.229 1.00 0.00 H new ATOM 387 N GLU A 25 11.327 -9.260 -6.373 1.00 0.00 N ATOM 388 CA GLU A 25 10.041 -9.743 -6.849 1.00 0.00 C ATOM 389 C GLU A 25 9.127 -10.133 -5.684 1.00 0.00 C ATOM 390 O GLU A 25 7.917 -9.918 -5.753 1.00 0.00 O ATOM 391 CB GLU A 25 10.291 -10.936 -7.775 1.00 0.00 C ATOM 392 CG GLU A 25 8.997 -11.648 -8.184 1.00 0.00 C ATOM 393 CD GLU A 25 8.088 -10.777 -9.056 1.00 0.00 C ATOM 394 OE1 GLU A 25 8.510 -9.656 -9.413 1.00 0.00 O ATOM 395 OE2 GLU A 25 6.969 -11.249 -9.362 1.00 0.00 O ATOM 0 H GLU A 25 12.112 -9.874 -6.589 1.00 0.00 H new ATOM 0 HA GLU A 25 9.531 -8.950 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.811 -10.594 -8.670 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.950 -11.647 -7.276 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.246 -12.561 -8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.454 -11.947 -7.288 1.00 0.00 H new ATOM 402 N VAL A 26 9.697 -10.701 -4.614 1.00 0.00 N ATOM 403 CA VAL A 26 8.910 -11.121 -3.462 1.00 0.00 C ATOM 404 C VAL A 26 8.510 -9.935 -2.586 1.00 0.00 C ATOM 405 O VAL A 26 7.515 -10.003 -1.867 1.00 0.00 O ATOM 406 CB VAL A 26 9.671 -12.194 -2.678 1.00 0.00 C ATOM 407 CG1 VAL A 26 10.843 -11.588 -1.918 1.00 0.00 C ATOM 408 CG2 VAL A 26 8.743 -12.885 -1.678 1.00 0.00 C ATOM 0 H VAL A 26 10.698 -10.877 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 26 7.977 -11.559 -3.817 1.00 0.00 H new ATOM 0 HB VAL A 26 10.046 -12.921 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.366 -12.372 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.529 -11.118 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.474 -10.840 -1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.300 -13.645 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.349 -12.148 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.918 -13.356 -2.213 1.00 0.00 H new ATOM 418 N LEU A 27 9.284 -8.845 -2.649 1.00 0.00 N ATOM 419 CA LEU A 27 8.945 -7.603 -1.964 1.00 0.00 C ATOM 420 C LEU A 27 7.990 -6.759 -2.819 1.00 0.00 C ATOM 421 O LEU A 27 7.800 -5.574 -2.547 1.00 0.00 O ATOM 422 CB LEU A 27 10.220 -6.818 -1.642 1.00 0.00 C ATOM 423 CG LEU A 27 11.072 -7.533 -0.588 1.00 0.00 C ATOM 424 CD1 LEU A 27 12.405 -6.799 -0.443 1.00 0.00 C ATOM 425 CD2 LEU A 27 10.365 -7.538 0.766 1.00 0.00 C ATOM 0 H LEU A 27 10.157 -8.804 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 27 8.438 -7.844 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.804 -6.683 -2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.955 -5.824 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 27 11.232 -8.563 -0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.018 -7.302 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.927 -6.801 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.222 -5.771 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.987 -8.051 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.193 -6.512 1.090 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.410 -8.055 0.676 1.00 0.00 H new ATOM 437 N ASP A 28 7.389 -7.368 -3.850 1.00 0.00 N ATOM 438 CA ASP A 28 6.505 -6.675 -4.784 1.00 0.00 C ATOM 439 C ASP A 28 7.175 -5.510 -5.519 1.00 0.00 C ATOM 440 O ASP A 28 6.500 -4.589 -5.977 1.00 0.00 O ATOM 441 CB ASP A 28 5.180 -6.285 -4.110 1.00 0.00 C ATOM 442 CG ASP A 28 4.307 -7.495 -3.778 1.00 0.00 C ATOM 443 OD1 ASP A 28 4.702 -8.626 -4.142 1.00 0.00 O ATOM 444 OD2 ASP A 28 3.240 -7.271 -3.161 1.00 0.00 O ATOM 0 H ASP A 28 7.506 -8.360 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 28 6.267 -7.388 -5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.392 -5.733 -3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.627 -5.613 -4.767 1.00 0.00 H new ATOM 449 N LYS A 29 8.508 -5.557 -5.634 1.00 0.00 N ATOM 450 CA LYS A 29 9.280 -4.553 -6.355 1.00 0.00 C ATOM 451 C LYS A 29 9.612 -5.076 -7.753 1.00 0.00 C ATOM 452 O LYS A 29 9.142 -6.144 -8.147 1.00 0.00 O ATOM 453 CB LYS A 29 10.548 -4.203 -5.571 1.00 0.00 C ATOM 454 CG LYS A 29 10.192 -3.732 -4.162 1.00 0.00 C ATOM 455 CD LYS A 29 11.428 -3.146 -3.484 1.00 0.00 C ATOM 456 CE LYS A 29 11.121 -2.786 -2.028 1.00 0.00 C ATOM 457 NZ LYS A 29 9.998 -1.834 -1.933 1.00 0.00 N ATOM 0 H LYS A 29 9.078 -6.298 -5.226 1.00 0.00 H new ATOM 0 HA LYS A 29 8.694 -3.640 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.201 -5.074 -5.516 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.102 -3.422 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.402 -2.983 -4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.806 -4.567 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 29 12.246 -3.865 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.759 -2.258 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.880 -3.691 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 29 12.007 -2.353 -1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.026 -1.355 -1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.076 -1.128 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.099 -2.347 -2.029 1.00 0.00 H new ATOM 471 N THR A 30 10.420 -4.324 -8.501 1.00 0.00 N ATOM 472 CA THR A 30 10.731 -4.658 -9.881 1.00 0.00 C ATOM 473 C THR A 30 12.225 -4.518 -10.175 1.00 0.00 C ATOM 474 O THR A 30 12.772 -3.423 -10.061 1.00 0.00 O ATOM 475 CB THR A 30 9.912 -3.764 -10.814 1.00 0.00 C ATOM 476 OG1 THR A 30 8.546 -3.835 -10.465 1.00 0.00 O ATOM 477 CG2 THR A 30 10.084 -4.191 -12.271 1.00 0.00 C ATOM 0 H THR A 30 10.872 -3.473 -8.166 1.00 0.00 H new ATOM 0 HA THR A 30 10.468 -5.702 -10.051 1.00 0.00 H new ATOM 0 HB THR A 30 10.270 -2.740 -10.706 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.025 -3.260 -11.064 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.492 -3.540 -12.913 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.135 -4.117 -12.550 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.748 -5.221 -12.390 1.00 0.00 H new ATOM 485 N PRO A 31 12.899 -5.614 -10.553 1.00 0.00 N ATOM 486 CA PRO A 31 14.256 -5.574 -11.064 1.00 0.00 C ATOM 487 C PRO A 31 14.223 -5.040 -12.496 1.00 0.00 C ATOM 488 O PRO A 31 14.049 -5.804 -13.444 1.00 0.00 O ATOM 489 CB PRO A 31 14.748 -7.020 -11.009 1.00 0.00 C ATOM 490 CG PRO A 31 13.466 -7.845 -11.153 1.00 0.00 C ATOM 491 CD PRO A 31 12.381 -6.969 -10.527 1.00 0.00 C ATOM 0 HA PRO A 31 14.918 -4.923 -10.492 1.00 0.00 H new ATOM 0 HB2 PRO A 31 15.454 -7.234 -11.812 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.259 -7.234 -10.070 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.248 -8.062 -12.199 1.00 0.00 H new ATOM 0 HG3 PRO A 31 13.549 -8.803 -10.639 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.449 -7.042 -11.087 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.165 -7.285 -9.506 1.00 0.00 H new ATOM 499 N VAL A 32 14.387 -3.724 -12.654 1.00 0.00 N ATOM 500 CA VAL A 32 14.240 -3.073 -13.951 1.00 0.00 C ATOM 501 C VAL A 32 15.430 -3.308 -14.878 1.00 0.00 C ATOM 502 O VAL A 32 15.378 -2.931 -16.049 1.00 0.00 O ATOM 503 CB VAL A 32 13.940 -1.579 -13.778 1.00 0.00 C ATOM 504 CG1 VAL A 32 12.862 -1.377 -12.716 1.00 0.00 C ATOM 505 CG2 VAL A 32 15.189 -0.798 -13.357 1.00 0.00 C ATOM 0 H VAL A 32 14.623 -3.088 -11.892 1.00 0.00 H new ATOM 0 HA VAL A 32 13.386 -3.539 -14.443 1.00 0.00 H new ATOM 0 HB VAL A 32 13.597 -1.205 -14.743 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.658 -0.312 -12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.950 -1.891 -13.021 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.207 -1.784 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 32 14.938 0.257 -13.244 1.00 0.00 H new ATOM 0 HG22 VAL A 32 15.558 -1.187 -12.408 1.00 0.00 H new ATOM 0 HG23 VAL A 32 15.961 -0.908 -14.119 1.00 0.00 H new ATOM 515 N GLY A 33 16.500 -3.926 -14.373 1.00 0.00 N ATOM 516 CA GLY A 33 17.644 -4.257 -15.205 1.00 0.00 C ATOM 517 C GLY A 33 18.847 -4.687 -14.377 1.00 0.00 C ATOM 518 O GLY A 33 18.930 -4.402 -13.183 1.00 0.00 O ATOM 0 H GLY A 33 16.592 -4.204 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.372 -5.058 -15.893 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.912 -3.393 -15.813 1.00 0.00 H new ATOM 522 N THR A 34 19.782 -5.375 -15.037 1.00 0.00 N ATOM 523 CA THR A 34 21.030 -5.820 -14.440 1.00 0.00 C ATOM 524 C THR A 34 22.187 -5.700 -15.417 1.00 0.00 C ATOM 525 O THR A 34 22.043 -6.043 -16.591 1.00 0.00 O ATOM 526 CB THR A 34 20.902 -7.243 -13.883 1.00 0.00 C ATOM 527 OG1 THR A 34 19.673 -7.400 -13.211 1.00 0.00 O ATOM 528 CG2 THR A 34 22.050 -7.551 -12.925 1.00 0.00 C ATOM 0 H THR A 34 19.685 -5.640 -16.017 1.00 0.00 H new ATOM 0 HA THR A 34 21.249 -5.160 -13.600 1.00 0.00 H new ATOM 0 HB THR A 34 20.943 -7.938 -14.721 1.00 0.00 H new ATOM 0 HG1 THR A 34 19.502 -8.353 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 34 21.941 -8.565 -12.541 1.00 0.00 H new ATOM 0 HG22 THR A 34 22.999 -7.464 -13.454 1.00 0.00 H new ATOM 0 HG23 THR A 34 22.031 -6.845 -12.095 1.00 0.00 H new ATOM 536 N VAL A 35 23.334 -5.213 -14.939 1.00 0.00 N ATOM 537 CA VAL A 35 24.508 -5.024 -15.784 1.00 0.00 C ATOM 538 C VAL A 35 25.782 -5.498 -15.092 1.00 0.00 C ATOM 539 O VAL A 35 25.813 -5.627 -13.868 1.00 0.00 O ATOM 540 CB VAL A 35 24.611 -3.564 -16.263 1.00 0.00 C ATOM 541 CG1 VAL A 35 23.259 -3.038 -16.748 1.00 0.00 C ATOM 542 CG2 VAL A 35 25.103 -2.659 -15.137 1.00 0.00 C ATOM 0 H VAL A 35 23.472 -4.942 -13.965 1.00 0.00 H new ATOM 0 HA VAL A 35 24.389 -5.647 -16.670 1.00 0.00 H new ATOM 0 HB VAL A 35 25.321 -3.551 -17.090 1.00 0.00 H new ATOM 0 HG11 VAL A 35 23.368 -2.005 -17.079 1.00 0.00 H new ATOM 0 HG12 VAL A 35 22.907 -3.650 -17.579 1.00 0.00 H new ATOM 0 HG13 VAL A 35 22.537 -3.084 -15.933 1.00 0.00 H new ATOM 0 HG21 VAL A 35 25.168 -1.632 -15.498 1.00 0.00 H new ATOM 0 HG22 VAL A 35 24.405 -2.706 -14.301 1.00 0.00 H new ATOM 0 HG23 VAL A 35 26.087 -2.991 -14.807 1.00 0.00 H new ATOM 552 N ASP A 36 26.829 -5.755 -15.880 1.00 0.00 N ATOM 553 CA ASP A 36 28.104 -6.243 -15.366 1.00 0.00 C ATOM 554 C ASP A 36 29.288 -5.367 -15.791 1.00 0.00 C ATOM 555 O ASP A 36 30.439 -5.701 -15.509 1.00 0.00 O ATOM 556 CB ASP A 36 28.322 -7.712 -15.744 1.00 0.00 C ATOM 557 CG ASP A 36 28.154 -7.987 -17.241 1.00 0.00 C ATOM 558 OD1 ASP A 36 27.865 -7.031 -17.993 1.00 0.00 O ATOM 559 OD2 ASP A 36 28.322 -9.169 -17.622 1.00 0.00 O ATOM 0 H ASP A 36 26.813 -5.629 -16.892 1.00 0.00 H new ATOM 0 HA ASP A 36 28.054 -6.178 -14.279 1.00 0.00 H new ATOM 0 HB2 ASP A 36 29.324 -8.013 -15.437 1.00 0.00 H new ATOM 0 HB3 ASP A 36 27.618 -8.331 -15.187 1.00 0.00 H new ATOM 564 N THR A 37 29.005 -4.248 -16.463 1.00 0.00 N ATOM 565 CA THR A 37 30.011 -3.250 -16.810 1.00 0.00 C ATOM 566 C THR A 37 29.557 -1.843 -16.441 1.00 0.00 C ATOM 567 O THR A 37 28.361 -1.553 -16.460 1.00 0.00 O ATOM 568 CB THR A 37 30.440 -3.349 -18.276 1.00 0.00 C ATOM 569 OG1 THR A 37 29.492 -2.707 -19.100 1.00 0.00 O ATOM 570 CG2 THR A 37 30.612 -4.802 -18.719 1.00 0.00 C ATOM 0 H THR A 37 28.066 -4.011 -16.782 1.00 0.00 H new ATOM 0 HA THR A 37 30.896 -3.468 -16.212 1.00 0.00 H new ATOM 0 HB THR A 37 31.406 -2.854 -18.372 1.00 0.00 H new ATOM 0 HG1 THR A 37 29.774 -2.773 -20.036 1.00 0.00 H new ATOM 0 HG21 THR A 37 30.917 -4.830 -19.765 1.00 0.00 H new ATOM 0 HG22 THR A 37 31.375 -5.281 -18.106 1.00 0.00 H new ATOM 0 HG23 THR A 37 29.667 -5.332 -18.602 1.00 0.00 H new ATOM 578 N VAL A 38 30.507 -0.969 -16.106 1.00 0.00 N ATOM 579 CA VAL A 38 30.165 0.355 -15.609 1.00 0.00 C ATOM 580 C VAL A 38 29.657 1.293 -16.696 1.00 0.00 C ATOM 581 O VAL A 38 28.921 2.234 -16.410 1.00 0.00 O ATOM 582 CB VAL A 38 31.321 0.943 -14.795 1.00 0.00 C ATOM 583 CG1 VAL A 38 32.378 1.613 -15.671 1.00 0.00 C ATOM 584 CG2 VAL A 38 30.759 1.995 -13.851 1.00 0.00 C ATOM 0 H VAL A 38 31.508 -1.155 -16.170 1.00 0.00 H new ATOM 0 HA VAL A 38 29.318 0.239 -14.933 1.00 0.00 H new ATOM 0 HB VAL A 38 31.798 0.121 -14.261 1.00 0.00 H new ATOM 0 HG11 VAL A 38 33.173 2.012 -15.041 1.00 0.00 H new ATOM 0 HG12 VAL A 38 32.795 0.881 -16.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.921 2.425 -16.236 1.00 0.00 H new ATOM 0 HG21 VAL A 38 31.569 2.425 -13.262 1.00 0.00 H new ATOM 0 HG22 VAL A 38 30.274 2.781 -14.430 1.00 0.00 H new ATOM 0 HG23 VAL A 38 30.031 1.533 -13.184 1.00 0.00 H new ATOM 594 N ALA A 39 30.041 1.043 -17.950 1.00 0.00 N ATOM 595 CA ALA A 39 29.515 1.805 -19.068 1.00 0.00 C ATOM 596 C ALA A 39 28.051 1.431 -19.300 1.00 0.00 C ATOM 597 O ALA A 39 27.276 2.242 -19.803 1.00 0.00 O ATOM 598 CB ALA A 39 30.363 1.526 -20.306 1.00 0.00 C ATOM 0 H ALA A 39 30.712 0.320 -18.209 1.00 0.00 H new ATOM 0 HA ALA A 39 29.560 2.872 -18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 39 29.973 2.095 -21.150 1.00 0.00 H new ATOM 0 HB2 ALA A 39 31.395 1.821 -20.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 30.328 0.462 -20.539 1.00 0.00 H new ATOM 604 N GLY A 40 27.672 0.202 -18.931 1.00 0.00 N ATOM 605 CA GLY A 40 26.290 -0.236 -19.003 1.00 0.00 C ATOM 606 C GLY A 40 25.502 0.297 -17.806 1.00 0.00 C ATOM 607 O GLY A 40 24.297 0.517 -17.905 1.00 0.00 O ATOM 0 H GLY A 40 28.316 -0.506 -18.578 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.838 0.115 -19.930 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.247 -1.325 -19.020 1.00 0.00 H new ATOM 611 N ALA A 41 26.181 0.511 -16.676 1.00 0.00 N ATOM 612 CA ALA A 41 25.551 1.046 -15.479 1.00 0.00 C ATOM 613 C ALA A 41 25.301 2.543 -15.635 1.00 0.00 C ATOM 614 O ALA A 41 24.292 3.053 -15.156 1.00 0.00 O ATOM 615 CB ALA A 41 26.458 0.770 -14.281 1.00 0.00 C ATOM 0 H ALA A 41 27.177 0.318 -16.571 1.00 0.00 H new ATOM 0 HA ALA A 41 24.587 0.563 -15.321 1.00 0.00 H new ATOM 0 HB1 ALA A 41 25.997 1.166 -13.376 1.00 0.00 H new ATOM 0 HB2 ALA A 41 26.602 -0.305 -14.174 1.00 0.00 H new ATOM 0 HB3 ALA A 41 27.423 1.251 -14.437 1.00 0.00 H new ATOM 621 N LEU A 42 26.218 3.247 -16.308 1.00 0.00 N ATOM 622 CA LEU A 42 26.049 4.666 -16.589 1.00 0.00 C ATOM 623 C LEU A 42 24.955 4.850 -17.635 1.00 0.00 C ATOM 624 O LEU A 42 24.269 5.871 -17.643 1.00 0.00 O ATOM 625 CB LEU A 42 27.374 5.242 -17.101 1.00 0.00 C ATOM 626 CG LEU A 42 28.366 5.497 -15.959 1.00 0.00 C ATOM 627 CD1 LEU A 42 29.724 5.864 -16.550 1.00 0.00 C ATOM 628 CD2 LEU A 42 27.886 6.649 -15.070 1.00 0.00 C ATOM 0 H LEU A 42 27.086 2.850 -16.667 1.00 0.00 H new ATOM 0 HA LEU A 42 25.760 5.192 -15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 42 27.817 4.552 -17.819 1.00 0.00 H new ATOM 0 HB3 LEU A 42 27.183 6.175 -17.632 1.00 0.00 H new ATOM 0 HG LEU A 42 28.443 4.593 -15.355 1.00 0.00 H new ATOM 0 HD11 LEU A 42 30.434 6.047 -15.744 1.00 0.00 H new ATOM 0 HD12 LEU A 42 30.084 5.044 -17.172 1.00 0.00 H new ATOM 0 HD13 LEU A 42 29.625 6.764 -17.157 1.00 0.00 H new ATOM 0 HD21 LEU A 42 28.604 6.812 -14.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.797 7.556 -15.667 1.00 0.00 H new ATOM 0 HD23 LEU A 42 26.915 6.399 -14.643 1.00 0.00 H new ATOM 640 N ALA A 43 24.787 3.864 -18.521 1.00 0.00 N ATOM 641 CA ALA A 43 23.763 3.920 -19.552 1.00 0.00 C ATOM 642 C ALA A 43 22.382 3.614 -18.966 1.00 0.00 C ATOM 643 O ALA A 43 21.371 4.090 -19.484 1.00 0.00 O ATOM 644 CB ALA A 43 24.123 2.920 -20.649 1.00 0.00 C ATOM 0 H ALA A 43 25.353 3.016 -18.539 1.00 0.00 H new ATOM 0 HA ALA A 43 23.720 4.925 -19.972 1.00 0.00 H new ATOM 0 HB1 ALA A 43 23.364 2.949 -21.431 1.00 0.00 H new ATOM 0 HB2 ALA A 43 25.093 3.180 -21.074 1.00 0.00 H new ATOM 0 HB3 ALA A 43 24.169 1.917 -20.226 1.00 0.00 H new ATOM 650 N ARG A 44 22.330 2.820 -17.887 1.00 0.00 N ATOM 651 CA ARG A 44 21.071 2.466 -17.238 1.00 0.00 C ATOM 652 C ARG A 44 20.600 3.559 -16.287 1.00 0.00 C ATOM 653 O ARG A 44 19.408 3.858 -16.241 1.00 0.00 O ATOM 654 CB ARG A 44 21.236 1.140 -16.492 1.00 0.00 C ATOM 655 CG ARG A 44 21.086 -0.058 -17.433 1.00 0.00 C ATOM 656 CD ARG A 44 19.672 -0.108 -18.011 1.00 0.00 C ATOM 657 NE ARG A 44 19.406 -1.402 -18.652 1.00 0.00 N ATOM 658 CZ ARG A 44 18.287 -2.106 -18.466 1.00 0.00 C ATOM 659 NH1 ARG A 44 17.307 -1.642 -17.691 1.00 0.00 N ATOM 660 NH2 ARG A 44 18.142 -3.283 -19.064 1.00 0.00 N ATOM 0 H ARG A 44 23.154 2.411 -17.447 1.00 0.00 H new ATOM 0 HA ARG A 44 20.308 2.358 -18.009 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.216 1.109 -16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 44 20.493 1.074 -15.697 1.00 0.00 H new ATOM 0 HG2 ARG A 44 21.814 0.013 -18.241 1.00 0.00 H new ATOM 0 HG3 ARG A 44 21.298 -0.981 -16.893 1.00 0.00 H new ATOM 0 HD2 ARG A 44 18.945 0.064 -17.217 1.00 0.00 H new ATOM 0 HD3 ARG A 44 19.545 0.694 -18.738 1.00 0.00 H new ATOM 0 HE ARG A 44 20.117 -1.785 -19.275 1.00 0.00 H new ATOM 0 HH11 ARG A 44 17.406 -0.737 -17.230 1.00 0.00 H new ATOM 0 HH12 ARG A 44 16.458 -2.192 -17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 44 18.884 -3.646 -19.663 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.289 -3.824 -18.925 1.00 0.00 H new ATOM 674 N VAL A 45 21.519 4.160 -15.528 1.00 0.00 N ATOM 675 CA VAL A 45 21.158 5.224 -14.595 1.00 0.00 C ATOM 676 C VAL A 45 20.719 6.487 -15.331 1.00 0.00 C ATOM 677 O VAL A 45 19.925 7.266 -14.806 1.00 0.00 O ATOM 678 CB VAL A 45 22.321 5.496 -13.632 1.00 0.00 C ATOM 679 CG1 VAL A 45 23.455 6.239 -14.337 1.00 0.00 C ATOM 680 CG2 VAL A 45 21.844 6.351 -12.462 1.00 0.00 C ATOM 0 H VAL A 45 22.512 3.928 -15.542 1.00 0.00 H new ATOM 0 HA VAL A 45 20.302 4.894 -14.006 1.00 0.00 H new ATOM 0 HB VAL A 45 22.685 4.533 -13.275 1.00 0.00 H new ATOM 0 HG11 VAL A 45 24.266 6.419 -13.631 1.00 0.00 H new ATOM 0 HG12 VAL A 45 23.823 5.637 -15.168 1.00 0.00 H new ATOM 0 HG13 VAL A 45 23.085 7.192 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 45 22.677 6.538 -11.785 1.00 0.00 H new ATOM 0 HG22 VAL A 45 21.461 7.300 -12.837 1.00 0.00 H new ATOM 0 HG23 VAL A 45 21.052 5.826 -11.927 1.00 0.00 H new ATOM 690 N GLU A 46 21.234 6.697 -16.548 1.00 0.00 N ATOM 691 CA GLU A 46 20.903 7.867 -17.342 1.00 0.00 C ATOM 692 C GLU A 46 19.496 7.746 -17.938 1.00 0.00 C ATOM 693 O GLU A 46 18.909 8.744 -18.349 1.00 0.00 O ATOM 694 CB GLU A 46 21.972 8.023 -18.431 1.00 0.00 C ATOM 695 CG GLU A 46 21.668 9.159 -19.415 1.00 0.00 C ATOM 696 CD GLU A 46 21.617 10.533 -18.743 1.00 0.00 C ATOM 697 OE1 GLU A 46 21.876 10.606 -17.520 1.00 0.00 O ATOM 698 OE2 GLU A 46 21.316 11.508 -19.469 1.00 0.00 O ATOM 0 H GLU A 46 21.888 6.059 -17.001 1.00 0.00 H new ATOM 0 HA GLU A 46 20.895 8.758 -16.714 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.938 8.207 -17.960 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.060 7.087 -18.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 22.429 9.170 -20.195 1.00 0.00 H new ATOM 0 HG3 GLU A 46 20.713 8.964 -19.904 1.00 0.00 H new ATOM 705 N ASP A 47 18.952 6.526 -17.986 1.00 0.00 N ATOM 706 CA ASP A 47 17.618 6.297 -18.533 1.00 0.00 C ATOM 707 C ASP A 47 16.584 6.876 -17.562 1.00 0.00 C ATOM 708 O ASP A 47 15.465 7.193 -17.960 1.00 0.00 O ATOM 709 CB ASP A 47 17.411 4.785 -18.690 1.00 0.00 C ATOM 710 CG ASP A 47 16.166 4.451 -19.510 1.00 0.00 C ATOM 711 OD1 ASP A 47 15.667 5.356 -20.217 1.00 0.00 O ATOM 712 OD2 ASP A 47 15.723 3.282 -19.420 1.00 0.00 O ATOM 0 H ASP A 47 19.419 5.683 -17.651 1.00 0.00 H new ATOM 0 HA ASP A 47 17.507 6.780 -19.504 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.287 4.349 -19.170 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.327 4.328 -17.704 1.00 0.00 H new ATOM 717 N GLY A 48 16.960 7.020 -16.287 1.00 0.00 N ATOM 718 CA GLY A 48 16.096 7.603 -15.273 1.00 0.00 C ATOM 719 C GLY A 48 14.919 6.686 -14.941 1.00 0.00 C ATOM 720 O GLY A 48 14.845 5.552 -15.419 1.00 0.00 O ATOM 0 H GLY A 48 17.874 6.733 -15.936 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.674 7.796 -14.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.721 8.565 -15.623 1.00 0.00 H new ATOM 724 N GLY A 49 13.994 7.185 -14.118 1.00 0.00 N ATOM 725 CA GLY A 49 12.807 6.439 -13.718 1.00 0.00 C ATOM 726 C GLY A 49 13.130 5.385 -12.660 1.00 0.00 C ATOM 727 O GLY A 49 12.228 4.689 -12.187 1.00 0.00 O ATOM 0 H GLY A 49 14.050 8.119 -13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.059 7.129 -13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.370 5.955 -14.592 1.00 0.00 H new ATOM 731 N ILE A 50 14.407 5.259 -12.281 1.00 0.00 N ATOM 732 CA ILE A 50 14.838 4.301 -11.270 1.00 0.00 C ATOM 733 C ILE A 50 14.708 4.920 -9.878 1.00 0.00 C ATOM 734 O ILE A 50 15.000 6.099 -9.692 1.00 0.00 O ATOM 735 CB ILE A 50 16.279 3.864 -11.562 1.00 0.00 C ATOM 736 CG1 ILE A 50 16.354 3.220 -12.954 1.00 0.00 C ATOM 737 CG2 ILE A 50 16.745 2.864 -10.503 1.00 0.00 C ATOM 738 CD1 ILE A 50 17.809 3.013 -13.384 1.00 0.00 C ATOM 0 H ILE A 50 15.166 5.820 -12.669 1.00 0.00 H new ATOM 0 HA ILE A 50 14.202 3.416 -11.300 1.00 0.00 H new ATOM 0 HB ILE A 50 16.929 4.739 -11.536 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.834 2.262 -12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.843 3.853 -13.680 1.00 0.00 H new ATOM 0 HG21 ILE A 50 17.769 2.558 -10.717 1.00 0.00 H new ATOM 0 HG22 ILE A 50 16.704 3.331 -9.519 1.00 0.00 H new ATOM 0 HG23 ILE A 50 16.095 1.989 -10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.835 2.556 -14.373 1.00 0.00 H new ATOM 0 HD12 ILE A 50 18.319 3.976 -13.416 1.00 0.00 H new ATOM 0 HD13 ILE A 50 18.310 2.360 -12.669 1.00 0.00 H new ATOM 750 N ASP A 51 14.271 4.121 -8.902 1.00 0.00 N ATOM 751 CA ASP A 51 14.033 4.597 -7.544 1.00 0.00 C ATOM 752 C ASP A 51 15.250 4.356 -6.649 1.00 0.00 C ATOM 753 O ASP A 51 15.461 5.100 -5.692 1.00 0.00 O ATOM 754 CB ASP A 51 12.812 3.882 -6.962 1.00 0.00 C ATOM 755 CG ASP A 51 11.552 4.078 -7.801 1.00 0.00 C ATOM 756 OD1 ASP A 51 10.639 3.233 -7.642 1.00 0.00 O ATOM 757 OD2 ASP A 51 11.507 5.056 -8.580 1.00 0.00 O ATOM 0 H ASP A 51 14.074 3.129 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 51 13.852 5.671 -7.583 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.026 2.816 -6.881 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.630 4.249 -5.952 1.00 0.00 H new ATOM 762 N ALA A 52 16.045 3.321 -6.950 1.00 0.00 N ATOM 763 CA ALA A 52 17.265 3.003 -6.207 1.00 0.00 C ATOM 764 C ALA A 52 18.119 2.021 -7.014 1.00 0.00 C ATOM 765 O ALA A 52 17.666 1.490 -8.027 1.00 0.00 O ATOM 766 CB ALA A 52 16.898 2.394 -4.850 1.00 0.00 C ATOM 0 H ALA A 52 15.856 2.679 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 52 17.838 3.916 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.808 2.158 -4.299 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.303 3.108 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.321 1.482 -5.004 1.00 0.00 H new ATOM 772 N ALA A 53 19.357 1.770 -6.579 1.00 0.00 N ATOM 773 CA ALA A 53 20.223 0.832 -7.281 1.00 0.00 C ATOM 774 C ALA A 53 21.211 0.151 -6.332 1.00 0.00 C ATOM 775 O ALA A 53 21.394 0.591 -5.198 1.00 0.00 O ATOM 776 CB ALA A 53 20.972 1.574 -8.386 1.00 0.00 C ATOM 0 H ALA A 53 19.774 2.200 -5.753 1.00 0.00 H new ATOM 0 HA ALA A 53 19.602 0.048 -7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 53 21.622 0.878 -8.916 1.00 0.00 H new ATOM 0 HB2 ALA A 53 20.255 2.005 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 53 21.574 2.370 -7.947 1.00 0.00 H new ATOM 782 N ILE A 54 21.842 -0.928 -6.805 1.00 0.00 N ATOM 783 CA ILE A 54 22.825 -1.689 -6.039 1.00 0.00 C ATOM 784 C ILE A 54 24.110 -1.811 -6.860 1.00 0.00 C ATOM 785 O ILE A 54 24.045 -1.945 -8.079 1.00 0.00 O ATOM 786 CB ILE A 54 22.252 -3.066 -5.662 1.00 0.00 C ATOM 787 CG1 ILE A 54 20.837 -2.914 -5.088 1.00 0.00 C ATOM 788 CG2 ILE A 54 23.180 -3.745 -4.646 1.00 0.00 C ATOM 789 CD1 ILE A 54 20.257 -4.259 -4.651 1.00 0.00 C ATOM 0 H ILE A 54 21.681 -1.299 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 54 23.059 -1.172 -5.109 1.00 0.00 H new ATOM 0 HB ILE A 54 22.190 -3.688 -6.555 1.00 0.00 H new ATOM 0 HG12 ILE A 54 20.861 -2.234 -4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.187 -2.463 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 54 22.775 -4.721 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 24.170 -3.871 -5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 54 23.256 -3.126 -3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 54 19.254 -4.110 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 54 20.209 -4.930 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.894 -4.697 -3.882 1.00 0.00 H new ATOM 801 N LEU A 55 25.274 -1.765 -6.200 1.00 0.00 N ATOM 802 CA LEU A 55 26.551 -1.657 -6.893 1.00 0.00 C ATOM 803 C LEU A 55 27.675 -2.393 -6.165 1.00 0.00 C ATOM 804 O LEU A 55 27.937 -2.131 -4.995 1.00 0.00 O ATOM 805 CB LEU A 55 26.900 -0.171 -7.017 1.00 0.00 C ATOM 806 CG LEU A 55 28.217 0.065 -7.765 1.00 0.00 C ATOM 807 CD1 LEU A 55 28.079 -0.327 -9.236 1.00 0.00 C ATOM 808 CD2 LEU A 55 28.573 1.546 -7.676 1.00 0.00 C ATOM 0 H LEU A 55 25.351 -1.801 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 55 26.453 -2.123 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 55 26.093 0.346 -7.537 1.00 0.00 H new ATOM 0 HB3 LEU A 55 26.969 0.267 -6.021 1.00 0.00 H new ATOM 0 HG LEU A 55 28.998 -0.546 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 55 29.024 -0.152 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 55 27.817 -1.383 -9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 55 27.297 0.274 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 55 29.509 1.728 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 55 27.779 2.139 -8.130 1.00 0.00 H new ATOM 0 HD23 LEU A 55 28.686 1.831 -6.630 1.00 0.00 H new ATOM 820 N ASP A 56 28.348 -3.315 -6.855 1.00 0.00 N ATOM 821 CA ASP A 56 29.542 -3.968 -6.328 1.00 0.00 C ATOM 822 C ASP A 56 30.795 -3.096 -6.418 1.00 0.00 C ATOM 823 O ASP A 56 30.876 -2.202 -7.262 1.00 0.00 O ATOM 824 CB ASP A 56 29.768 -5.355 -6.947 1.00 0.00 C ATOM 825 CG ASP A 56 29.584 -5.419 -8.470 1.00 0.00 C ATOM 826 OD1 ASP A 56 29.978 -6.461 -9.035 1.00 0.00 O ATOM 827 OD2 ASP A 56 29.059 -4.446 -9.051 1.00 0.00 O ATOM 0 H ASP A 56 28.081 -3.627 -7.789 1.00 0.00 H new ATOM 0 HA ASP A 56 29.350 -4.116 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 56 30.777 -5.686 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 56 29.080 -6.061 -6.482 1.00 0.00 H new ATOM 832 N VAL A 57 31.775 -3.358 -5.545 1.00 0.00 N ATOM 833 CA VAL A 57 32.988 -2.547 -5.462 1.00 0.00 C ATOM 834 C VAL A 57 33.834 -2.667 -6.734 1.00 0.00 C ATOM 835 O VAL A 57 34.564 -1.736 -7.078 1.00 0.00 O ATOM 836 CB VAL A 57 33.795 -2.963 -4.226 1.00 0.00 C ATOM 837 CG1 VAL A 57 35.058 -2.113 -4.080 1.00 0.00 C ATOM 838 CG2 VAL A 57 32.946 -2.792 -2.965 1.00 0.00 C ATOM 0 H VAL A 57 31.747 -4.133 -4.882 1.00 0.00 H new ATOM 0 HA VAL A 57 32.700 -1.500 -5.368 1.00 0.00 H new ATOM 0 HB VAL A 57 34.079 -4.008 -4.353 1.00 0.00 H new ATOM 0 HG11 VAL A 57 35.610 -2.430 -3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 57 35.685 -2.238 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 57 34.781 -1.064 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 57 33.527 -3.090 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 57 32.650 -1.748 -2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.056 -3.416 -3.038 1.00 0.00 H new ATOM 848 N ASN A 58 33.740 -3.797 -7.437 1.00 0.00 N ATOM 849 CA ASN A 58 34.445 -3.986 -8.694 1.00 0.00 C ATOM 850 C ASN A 58 33.624 -4.864 -9.635 1.00 0.00 C ATOM 851 O ASN A 58 32.920 -5.768 -9.189 1.00 0.00 O ATOM 852 CB ASN A 58 35.840 -4.576 -8.450 1.00 0.00 C ATOM 853 CG ASN A 58 35.784 -5.886 -7.670 1.00 0.00 C ATOM 854 OD1 ASN A 58 35.416 -6.924 -8.214 1.00 0.00 O ATOM 855 ND2 ASN A 58 36.150 -5.843 -6.394 1.00 0.00 N ATOM 0 H ASN A 58 33.177 -4.597 -7.149 1.00 0.00 H new ATOM 0 HA ASN A 58 34.578 -3.015 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 58 36.333 -4.746 -9.407 1.00 0.00 H new ATOM 0 HB3 ASN A 58 36.447 -3.855 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 58 36.132 -6.692 -5.829 1.00 0.00 H new ATOM 0 HD22 ASN A 58 36.450 -4.961 -5.979 1.00 0.00 H new ATOM 862 N LEU A 59 33.727 -4.585 -10.936 1.00 0.00 N ATOM 863 CA LEU A 59 32.988 -5.297 -11.971 1.00 0.00 C ATOM 864 C LEU A 59 33.945 -6.226 -12.714 1.00 0.00 C ATOM 865 O LEU A 59 35.049 -6.485 -12.235 1.00 0.00 O ATOM 866 CB LEU A 59 32.342 -4.267 -12.908 1.00 0.00 C ATOM 867 CG LEU A 59 30.964 -3.824 -12.395 1.00 0.00 C ATOM 868 CD1 LEU A 59 31.016 -3.371 -10.942 1.00 0.00 C ATOM 869 CD2 LEU A 59 30.470 -2.656 -13.238 1.00 0.00 C ATOM 0 H LEU A 59 34.333 -3.850 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 59 32.196 -5.909 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 59 32.994 -3.398 -12.999 1.00 0.00 H new ATOM 0 HB3 LEU A 59 32.240 -4.695 -13.905 1.00 0.00 H new ATOM 0 HG LEU A 59 30.294 -4.681 -12.468 1.00 0.00 H new ATOM 0 HD11 LEU A 59 30.020 -3.066 -10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 59 31.364 -4.193 -10.317 1.00 0.00 H new ATOM 0 HD13 LEU A 59 31.701 -2.529 -10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 59 29.492 -2.336 -12.879 1.00 0.00 H new ATOM 0 HD22 LEU A 59 31.174 -1.827 -13.160 1.00 0.00 H new ATOM 0 HD23 LEU A 59 30.390 -2.967 -14.280 1.00 0.00 H new ATOM 881 N ARG A 60 33.530 -6.729 -13.882 1.00 0.00 N ATOM 882 CA ARG A 60 34.350 -7.633 -14.674 1.00 0.00 C ATOM 883 C ARG A 60 35.747 -7.060 -14.885 1.00 0.00 C ATOM 884 O ARG A 60 35.908 -5.864 -15.117 1.00 0.00 O ATOM 885 CB ARG A 60 33.659 -7.919 -16.009 1.00 0.00 C ATOM 886 CG ARG A 60 32.419 -8.774 -15.759 1.00 0.00 C ATOM 887 CD ARG A 60 31.586 -8.892 -17.033 1.00 0.00 C ATOM 888 NE ARG A 60 32.312 -9.609 -18.087 1.00 0.00 N ATOM 889 CZ ARG A 60 31.718 -10.332 -19.041 1.00 0.00 C ATOM 890 NH1 ARG A 60 30.391 -10.424 -19.103 1.00 0.00 N ATOM 891 NH2 ARG A 60 32.458 -10.971 -19.944 1.00 0.00 N ATOM 0 H ARG A 60 32.622 -6.519 -14.297 1.00 0.00 H new ATOM 0 HA ARG A 60 34.465 -8.572 -14.133 1.00 0.00 H new ATOM 0 HB2 ARG A 60 33.379 -6.984 -16.495 1.00 0.00 H new ATOM 0 HB3 ARG A 60 34.342 -8.436 -16.683 1.00 0.00 H new ATOM 0 HG2 ARG A 60 32.716 -9.766 -15.419 1.00 0.00 H new ATOM 0 HG3 ARG A 60 31.819 -8.331 -14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.654 -9.413 -16.813 1.00 0.00 H new ATOM 0 HD3 ARG A 60 31.318 -7.897 -17.387 1.00 0.00 H new ATOM 0 HE ARG A 60 33.330 -9.552 -18.092 1.00 0.00 H new ATOM 0 HH11 ARG A 60 29.814 -9.939 -18.416 1.00 0.00 H new ATOM 0 HH12 ARG A 60 29.952 -10.980 -19.837 1.00 0.00 H new ATOM 0 HH21 ARG A 60 33.475 -10.908 -19.907 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.008 -11.524 -20.673 1.00 0.00 H new ATOM 905 N GLY A 61 36.756 -7.929 -14.799 1.00 0.00 N ATOM 906 CA GLY A 61 38.153 -7.528 -14.887 1.00 0.00 C ATOM 907 C GLY A 61 38.679 -7.012 -13.541 1.00 0.00 C ATOM 908 O GLY A 61 39.862 -6.696 -13.424 1.00 0.00 O ATOM 0 H GLY A 61 36.622 -8.931 -14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 61 38.756 -8.376 -15.213 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.262 -6.750 -15.643 1.00 0.00 H new ATOM 912 N GLY A 62 37.806 -6.925 -12.533 1.00 0.00 N ATOM 913 CA GLY A 62 38.180 -6.488 -11.193 1.00 0.00 C ATOM 914 C GLY A 62 38.447 -4.987 -11.133 1.00 0.00 C ATOM 915 O GLY A 62 38.958 -4.494 -10.130 1.00 0.00 O ATOM 0 H GLY A 62 36.817 -7.157 -12.628 1.00 0.00 H new ATOM 0 HA2 GLY A 62 37.384 -6.742 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 62 39.071 -7.027 -10.872 1.00 0.00 H new ATOM 919 N GLU A 63 38.113 -4.254 -12.198 1.00 0.00 N ATOM 920 CA GLU A 63 38.343 -2.817 -12.254 1.00 0.00 C ATOM 921 C GLU A 63 37.403 -2.087 -11.296 1.00 0.00 C ATOM 922 O GLU A 63 36.245 -2.479 -11.133 1.00 0.00 O ATOM 923 CB GLU A 63 38.167 -2.334 -13.697 1.00 0.00 C ATOM 924 CG GLU A 63 38.436 -0.830 -13.804 1.00 0.00 C ATOM 925 CD GLU A 63 38.355 -0.343 -15.248 1.00 0.00 C ATOM 926 OE1 GLU A 63 38.487 0.887 -15.442 1.00 0.00 O ATOM 927 OE2 GLU A 63 38.165 -1.191 -16.148 1.00 0.00 O ATOM 0 H GLU A 63 37.679 -4.640 -13.037 1.00 0.00 H new ATOM 0 HA GLU A 63 39.362 -2.595 -11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 63 38.848 -2.877 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 63 37.155 -2.552 -14.037 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.713 -0.287 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 63 39.423 -0.607 -13.400 1.00 0.00 H new ATOM 934 N LYS A 64 37.901 -1.019 -10.662 1.00 0.00 N ATOM 935 CA LYS A 64 37.118 -0.210 -9.735 1.00 0.00 C ATOM 936 C LYS A 64 35.940 0.434 -10.462 1.00 0.00 C ATOM 937 O LYS A 64 36.071 0.844 -11.615 1.00 0.00 O ATOM 938 CB LYS A 64 38.031 0.849 -9.113 1.00 0.00 C ATOM 939 CG LYS A 64 37.242 1.822 -8.236 1.00 0.00 C ATOM 940 CD LYS A 64 38.210 2.759 -7.506 1.00 0.00 C ATOM 941 CE LYS A 64 37.449 3.790 -6.669 1.00 0.00 C ATOM 942 NZ LYS A 64 36.690 4.725 -7.524 1.00 0.00 N ATOM 0 H LYS A 64 38.861 -0.695 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 64 36.711 -0.838 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 64 38.801 0.362 -8.516 1.00 0.00 H new ATOM 0 HB3 LYS A 64 38.541 1.401 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS A 64 36.552 2.402 -8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 64 36.640 1.270 -7.514 1.00 0.00 H new ATOM 0 HD2 LYS A 64 38.869 2.177 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 64 38.843 3.270 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 64 36.766 3.278 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 38.152 4.349 -6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 37.087 5.682 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 36.755 4.419 -8.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 35.693 4.734 -7.229 1.00 0.00 H new ATOM 956 N SER A 65 34.791 0.520 -9.785 1.00 0.00 N ATOM 957 CA SER A 65 33.582 1.072 -10.380 1.00 0.00 C ATOM 958 C SER A 65 32.782 1.861 -9.346 1.00 0.00 C ATOM 959 O SER A 65 32.011 1.288 -8.580 1.00 0.00 O ATOM 960 CB SER A 65 32.735 -0.067 -10.941 1.00 0.00 C ATOM 961 OG SER A 65 33.400 -0.666 -12.034 1.00 0.00 O ATOM 0 H SER A 65 34.678 0.211 -8.819 1.00 0.00 H new ATOM 0 HA SER A 65 33.860 1.753 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 65 32.549 -0.810 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 65 31.764 0.312 -11.258 1.00 0.00 H new ATOM 0 HG SER A 65 33.563 -1.612 -11.839 1.00 0.00 H new ATOM 967 N THR A 66 32.969 3.185 -9.337 1.00 0.00 N ATOM 968 CA THR A 66 32.161 4.106 -8.546 1.00 0.00 C ATOM 969 C THR A 66 31.647 5.342 -9.299 1.00 0.00 C ATOM 970 O THR A 66 31.155 6.261 -8.645 1.00 0.00 O ATOM 971 CB THR A 66 32.882 4.509 -7.252 1.00 0.00 C ATOM 972 OG1 THR A 66 33.800 5.546 -7.529 1.00 0.00 O ATOM 973 CG2 THR A 66 33.635 3.346 -6.609 1.00 0.00 C ATOM 0 H THR A 66 33.694 3.647 -9.886 1.00 0.00 H new ATOM 0 HA THR A 66 31.264 3.539 -8.299 1.00 0.00 H new ATOM 0 HB THR A 66 32.117 4.838 -6.549 1.00 0.00 H new ATOM 0 HG1 THR A 66 34.142 5.914 -6.687 1.00 0.00 H new ATOM 0 HG21 THR A 66 34.125 3.689 -5.698 1.00 0.00 H new ATOM 0 HG22 THR A 66 32.933 2.549 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 66 34.385 2.969 -7.305 1.00 0.00 H new ATOM 981 N PRO A 67 31.731 5.416 -10.642 1.00 0.00 N ATOM 982 CA PRO A 67 31.301 6.600 -11.367 1.00 0.00 C ATOM 983 C PRO A 67 29.782 6.732 -11.303 1.00 0.00 C ATOM 984 O PRO A 67 29.249 7.819 -11.514 1.00 0.00 O ATOM 985 CB PRO A 67 31.778 6.391 -12.805 1.00 0.00 C ATOM 986 CG PRO A 67 31.815 4.877 -12.952 1.00 0.00 C ATOM 987 CD PRO A 67 32.207 4.399 -11.559 1.00 0.00 C ATOM 0 HA PRO A 67 31.712 7.517 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 67 31.097 6.847 -13.524 1.00 0.00 H new ATOM 0 HB3 PRO A 67 32.760 6.834 -12.970 1.00 0.00 H new ATOM 0 HG2 PRO A 67 30.847 4.479 -13.256 1.00 0.00 H new ATOM 0 HG3 PRO A 67 32.539 4.563 -13.704 1.00 0.00 H new ATOM 0 HD2 PRO A 67 31.757 3.431 -11.337 1.00 0.00 H new ATOM 0 HD3 PRO A 67 33.287 4.275 -11.478 1.00 0.00 H new ATOM 995 N VAL A 68 29.085 5.627 -11.011 1.00 0.00 N ATOM 996 CA VAL A 68 27.634 5.636 -10.929 1.00 0.00 C ATOM 997 C VAL A 68 27.131 6.027 -9.549 1.00 0.00 C ATOM 998 O VAL A 68 26.200 6.816 -9.451 1.00 0.00 O ATOM 999 CB VAL A 68 27.046 4.299 -11.401 1.00 0.00 C ATOM 1000 CG1 VAL A 68 27.796 3.793 -12.630 1.00 0.00 C ATOM 1001 CG2 VAL A 68 27.114 3.228 -10.315 1.00 0.00 C ATOM 0 H VAL A 68 29.511 4.718 -10.829 1.00 0.00 H new ATOM 0 HA VAL A 68 27.279 6.411 -11.609 1.00 0.00 H new ATOM 0 HB VAL A 68 26.000 4.483 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 68 27.367 2.844 -12.953 1.00 0.00 H new ATOM 0 HG12 VAL A 68 27.709 4.523 -13.435 1.00 0.00 H new ATOM 0 HG13 VAL A 68 28.848 3.650 -12.381 1.00 0.00 H new ATOM 0 HG21 VAL A 68 26.687 2.299 -10.693 1.00 0.00 H new ATOM 0 HG22 VAL A 68 28.154 3.061 -10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 68 26.550 3.558 -9.443 1.00 0.00 H new ATOM 1011 N ALA A 69 27.729 5.493 -8.480 1.00 0.00 N ATOM 1012 CA ALA A 69 27.253 5.771 -7.136 1.00 0.00 C ATOM 1013 C ALA A 69 27.532 7.224 -6.765 1.00 0.00 C ATOM 1014 O ALA A 69 26.833 7.796 -5.928 1.00 0.00 O ATOM 1015 CB ALA A 69 27.930 4.817 -6.161 1.00 0.00 C ATOM 0 H ALA A 69 28.537 4.872 -8.525 1.00 0.00 H new ATOM 0 HA ALA A 69 26.175 5.619 -7.089 1.00 0.00 H new ATOM 0 HB1 ALA A 69 27.578 5.020 -5.150 1.00 0.00 H new ATOM 0 HB2 ALA A 69 27.688 3.789 -6.430 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.010 4.959 -6.204 1.00 0.00 H new ATOM 1021 N GLU A 70 28.549 7.821 -7.388 1.00 0.00 N ATOM 1022 CA GLU A 70 28.807 9.245 -7.240 1.00 0.00 C ATOM 1023 C GLU A 70 27.719 10.030 -7.969 1.00 0.00 C ATOM 1024 O GLU A 70 27.369 11.137 -7.566 1.00 0.00 O ATOM 1025 CB GLU A 70 30.184 9.565 -7.824 1.00 0.00 C ATOM 1026 CG GLU A 70 31.293 8.916 -6.990 1.00 0.00 C ATOM 1027 CD GLU A 70 31.512 9.622 -5.652 1.00 0.00 C ATOM 1028 OE1 GLU A 70 32.342 9.106 -4.873 1.00 0.00 O ATOM 1029 OE2 GLU A 70 30.856 10.661 -5.413 1.00 0.00 O ATOM 0 H GLU A 70 29.205 7.336 -8.000 1.00 0.00 H new ATOM 0 HA GLU A 70 28.796 9.525 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 70 30.240 9.208 -8.852 1.00 0.00 H new ATOM 0 HB3 GLU A 70 30.330 10.645 -7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 70 31.042 7.871 -6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 70 32.223 8.926 -7.558 1.00 0.00 H new ATOM 1036 N ALA A 71 27.181 9.451 -9.048 1.00 0.00 N ATOM 1037 CA ALA A 71 26.088 10.052 -9.784 1.00 0.00 C ATOM 1038 C ALA A 71 24.769 9.841 -9.038 1.00 0.00 C ATOM 1039 O ALA A 71 23.869 10.669 -9.151 1.00 0.00 O ATOM 1040 CB ALA A 71 26.034 9.465 -11.196 1.00 0.00 C ATOM 0 H ALA A 71 27.496 8.558 -9.426 1.00 0.00 H new ATOM 0 HA ALA A 71 26.252 11.126 -9.868 1.00 0.00 H new ATOM 0 HB1 ALA A 71 25.211 9.919 -11.748 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.972 9.670 -11.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 25.880 8.388 -11.136 1.00 0.00 H new ATOM 1046 N LEU A 72 24.636 8.748 -8.273 1.00 0.00 N ATOM 1047 CA LEU A 72 23.430 8.520 -7.486 1.00 0.00 C ATOM 1048 C LEU A 72 23.353 9.538 -6.350 1.00 0.00 C ATOM 1049 O LEU A 72 22.266 9.922 -5.935 1.00 0.00 O ATOM 1050 CB LEU A 72 23.387 7.090 -6.927 1.00 0.00 C ATOM 1051 CG LEU A 72 23.415 6.031 -8.032 1.00 0.00 C ATOM 1052 CD1 LEU A 72 23.066 4.673 -7.442 1.00 0.00 C ATOM 1053 CD2 LEU A 72 22.403 6.324 -9.132 1.00 0.00 C ATOM 0 H LEU A 72 25.344 8.019 -8.187 1.00 0.00 H new ATOM 0 HA LEU A 72 22.567 8.645 -8.140 1.00 0.00 H new ATOM 0 HB2 LEU A 72 24.236 6.938 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 72 22.485 6.963 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 72 24.418 6.040 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 23.086 3.919 -8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 23.792 4.413 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 22.069 4.713 -7.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 22.459 5.547 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 72 21.399 6.344 -8.707 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.626 7.291 -9.583 1.00 0.00 H new ATOM 1065 N ALA A 73 24.510 9.980 -5.847 1.00 0.00 N ATOM 1066 CA ALA A 73 24.555 11.006 -4.821 1.00 0.00 C ATOM 1067 C ALA A 73 24.165 12.365 -5.409 1.00 0.00 C ATOM 1068 O ALA A 73 23.595 13.198 -4.708 1.00 0.00 O ATOM 1069 CB ALA A 73 25.959 11.058 -4.227 1.00 0.00 C ATOM 0 H ALA A 73 25.425 9.637 -6.140 1.00 0.00 H new ATOM 0 HA ALA A 73 23.842 10.765 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.999 11.827 -3.456 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.205 10.091 -3.789 1.00 0.00 H new ATOM 0 HB3 ALA A 73 26.678 11.294 -5.012 1.00 0.00 H new ATOM 1075 N ALA A 74 24.467 12.587 -6.694 1.00 0.00 N ATOM 1076 CA ALA A 74 24.096 13.820 -7.374 1.00 0.00 C ATOM 1077 C ALA A 74 22.620 13.798 -7.773 1.00 0.00 C ATOM 1078 O ALA A 74 21.968 14.843 -7.809 1.00 0.00 O ATOM 1079 CB ALA A 74 24.982 13.986 -8.608 1.00 0.00 C ATOM 0 H ALA A 74 24.970 11.921 -7.281 1.00 0.00 H new ATOM 0 HA ALA A 74 24.243 14.664 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 74 24.714 14.906 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 74 26.027 14.033 -8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.837 13.137 -9.277 1.00 0.00 H new ATOM 1085 N ARG A 75 22.089 12.606 -8.073 1.00 0.00 N ATOM 1086 CA ARG A 75 20.688 12.423 -8.442 1.00 0.00 C ATOM 1087 C ARG A 75 19.815 12.233 -7.202 1.00 0.00 C ATOM 1088 O ARG A 75 18.603 12.074 -7.322 1.00 0.00 O ATOM 1089 CB ARG A 75 20.561 11.212 -9.371 1.00 0.00 C ATOM 1090 CG ARG A 75 21.335 11.423 -10.675 1.00 0.00 C ATOM 1091 CD ARG A 75 21.601 10.066 -11.332 1.00 0.00 C ATOM 1092 NE ARG A 75 22.375 10.219 -12.572 1.00 0.00 N ATOM 1093 CZ ARG A 75 21.835 10.328 -13.791 1.00 0.00 C ATOM 1094 NH1 ARG A 75 20.513 10.307 -13.956 1.00 0.00 N ATOM 1095 NH2 ARG A 75 22.628 10.461 -14.849 1.00 0.00 N ATOM 0 H ARG A 75 22.626 11.739 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 75 20.342 13.317 -8.960 1.00 0.00 H new ATOM 0 HB2 ARG A 75 20.935 10.322 -8.864 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.510 11.033 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.765 12.061 -11.350 1.00 0.00 H new ATOM 0 HG3 ARG A 75 22.277 11.933 -10.474 1.00 0.00 H new ATOM 0 HD2 ARG A 75 22.143 9.423 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 75 20.654 9.572 -11.550 1.00 0.00 H new ATOM 0 HE ARG A 75 23.392 10.244 -12.498 1.00 0.00 H new ATOM 0 HH11 ARG A 75 19.900 10.207 -13.147 1.00 0.00 H new ATOM 0 HH12 ARG A 75 20.114 10.391 -14.891 1.00 0.00 H new ATOM 0 HH21 ARG A 75 23.641 10.479 -14.728 1.00 0.00 H new ATOM 0 HH22 ARG A 75 22.224 10.545 -15.782 1.00 0.00 H new ATOM 1109 N ASP A 76 20.432 12.253 -6.016 1.00 0.00 N ATOM 1110 CA ASP A 76 19.761 12.036 -4.736 1.00 0.00 C ATOM 1111 C ASP A 76 19.038 10.675 -4.704 1.00 0.00 C ATOM 1112 O ASP A 76 18.103 10.478 -3.929 1.00 0.00 O ATOM 1113 CB ASP A 76 18.835 13.222 -4.430 1.00 0.00 C ATOM 1114 CG ASP A 76 18.204 13.134 -3.042 1.00 0.00 C ATOM 1115 OD1 ASP A 76 17.081 13.668 -2.890 1.00 0.00 O ATOM 1116 OD2 ASP A 76 18.844 12.541 -2.146 1.00 0.00 O ATOM 0 H ASP A 76 21.433 12.424 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 76 20.505 11.990 -3.940 1.00 0.00 H new ATOM 0 HB2 ASP A 76 19.402 14.150 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.046 13.265 -5.181 1.00 0.00 H new ATOM 1121 N ILE A 77 19.469 9.735 -5.552 1.00 0.00 N ATOM 1122 CA ILE A 77 18.927 8.383 -5.579 1.00 0.00 C ATOM 1123 C ILE A 77 19.587 7.546 -4.479 1.00 0.00 C ATOM 1124 O ILE A 77 20.812 7.575 -4.345 1.00 0.00 O ATOM 1125 CB ILE A 77 19.175 7.756 -6.956 1.00 0.00 C ATOM 1126 CG1 ILE A 77 18.585 8.665 -8.039 1.00 0.00 C ATOM 1127 CG2 ILE A 77 18.547 6.363 -7.017 1.00 0.00 C ATOM 1128 CD1 ILE A 77 18.771 8.074 -9.435 1.00 0.00 C ATOM 0 H ILE A 77 20.206 9.896 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 77 17.852 8.413 -5.399 1.00 0.00 H new ATOM 0 HB ILE A 77 20.247 7.654 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 77 17.523 8.818 -7.847 1.00 0.00 H new ATOM 0 HG13 ILE A 77 19.062 9.644 -7.992 1.00 0.00 H new ATOM 0 HG21 ILE A 77 18.728 5.925 -7.999 1.00 0.00 H new ATOM 0 HG22 ILE A 77 18.992 5.730 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 77 17.473 6.440 -6.847 1.00 0.00 H new ATOM 0 HD11 ILE A 77 18.340 8.747 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 77 19.834 7.946 -9.637 1.00 0.00 H new ATOM 0 HD13 ILE A 77 18.272 7.107 -9.490 1.00 0.00 H new ATOM 1140 N PRO A 78 18.802 6.796 -3.689 1.00 0.00 N ATOM 1141 CA PRO A 78 19.318 5.877 -2.691 1.00 0.00 C ATOM 1142 C PRO A 78 20.144 4.768 -3.343 1.00 0.00 C ATOM 1143 O PRO A 78 19.886 4.386 -4.485 1.00 0.00 O ATOM 1144 CB PRO A 78 18.095 5.302 -1.972 1.00 0.00 C ATOM 1145 CG PRO A 78 16.944 6.236 -2.340 1.00 0.00 C ATOM 1146 CD PRO A 78 17.354 6.806 -3.690 1.00 0.00 C ATOM 0 HA PRO A 78 19.984 6.384 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 78 17.892 4.280 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.249 5.272 -0.893 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.998 5.699 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.814 7.023 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 78 16.958 6.204 -4.507 1.00 0.00 H new ATOM 0 HD3 PRO A 78 16.968 7.817 -3.823 1.00 0.00 H new ATOM 1154 N PHE A 79 21.140 4.244 -2.625 1.00 0.00 N ATOM 1155 CA PHE A 79 22.025 3.232 -3.187 1.00 0.00 C ATOM 1156 C PHE A 79 22.535 2.250 -2.133 1.00 0.00 C ATOM 1157 O PHE A 79 22.681 2.607 -0.964 1.00 0.00 O ATOM 1158 CB PHE A 79 23.181 3.919 -3.921 1.00 0.00 C ATOM 1159 CG PHE A 79 23.975 4.885 -3.067 1.00 0.00 C ATOM 1160 CD1 PHE A 79 23.716 6.262 -3.143 1.00 0.00 C ATOM 1161 CD2 PHE A 79 24.972 4.409 -2.205 1.00 0.00 C ATOM 1162 CE1 PHE A 79 24.453 7.159 -2.354 1.00 0.00 C ATOM 1163 CE2 PHE A 79 25.707 5.305 -1.419 1.00 0.00 C ATOM 1164 CZ PHE A 79 25.449 6.680 -1.494 1.00 0.00 C ATOM 0 H PHE A 79 21.350 4.504 -1.661 1.00 0.00 H new ATOM 0 HA PHE A 79 21.452 2.636 -3.897 1.00 0.00 H new ATOM 0 HB2 PHE A 79 23.856 3.155 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 79 22.782 4.456 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 79 22.950 6.632 -3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 79 25.174 3.350 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 79 24.252 8.219 -2.410 1.00 0.00 H new ATOM 0 HE2 PHE A 79 26.474 4.936 -0.754 1.00 0.00 H new ATOM 0 HZ PHE A 79 26.018 7.370 -0.889 1.00 0.00 H new ATOM 1174 N VAL A 80 22.805 1.011 -2.556 1.00 0.00 N ATOM 1175 CA VAL A 80 23.419 -0.009 -1.711 1.00 0.00 C ATOM 1176 C VAL A 80 24.673 -0.526 -2.399 1.00 0.00 C ATOM 1177 O VAL A 80 24.728 -0.584 -3.623 1.00 0.00 O ATOM 1178 CB VAL A 80 22.450 -1.174 -1.468 1.00 0.00 C ATOM 1179 CG1 VAL A 80 23.081 -2.223 -0.559 1.00 0.00 C ATOM 1180 CG2 VAL A 80 21.169 -0.725 -0.785 1.00 0.00 C ATOM 0 H VAL A 80 22.601 0.689 -3.502 1.00 0.00 H new ATOM 0 HA VAL A 80 23.670 0.433 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 80 22.225 -1.581 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 80 22.376 -3.039 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 80 23.987 -2.611 -1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 80 23.332 -1.770 0.400 1.00 0.00 H new ATOM 0 HG21 VAL A 80 20.516 -1.585 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 80 21.408 -0.278 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.662 0.011 -1.410 1.00 0.00 H new ATOM 1190 N PHE A 81 25.679 -0.907 -1.614 1.00 0.00 N ATOM 1191 CA PHE A 81 26.862 -1.549 -2.159 1.00 0.00 C ATOM 1192 C PHE A 81 26.839 -3.070 -2.054 1.00 0.00 C ATOM 1193 O PHE A 81 26.038 -3.626 -1.307 1.00 0.00 O ATOM 1194 CB PHE A 81 28.139 -0.922 -1.599 1.00 0.00 C ATOM 1195 CG PHE A 81 28.497 0.382 -2.271 1.00 0.00 C ATOM 1196 CD1 PHE A 81 28.045 1.596 -1.735 1.00 0.00 C ATOM 1197 CD2 PHE A 81 29.279 0.381 -3.434 1.00 0.00 C ATOM 1198 CE1 PHE A 81 28.381 2.804 -2.357 1.00 0.00 C ATOM 1199 CE2 PHE A 81 29.627 1.593 -4.048 1.00 0.00 C ATOM 1200 CZ PHE A 81 29.182 2.805 -3.507 1.00 0.00 C ATOM 0 H PHE A 81 25.694 -0.780 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 81 26.855 -1.357 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 81 28.015 -0.752 -0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 81 28.964 -1.624 -1.717 1.00 0.00 H new ATOM 0 HD1 PHE A 81 27.437 1.599 -0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 81 29.614 -0.554 -3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 81 28.022 3.738 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 81 30.238 1.591 -4.938 1.00 0.00 H new ATOM 0 HZ PHE A 81 29.455 3.739 -3.975 1.00 0.00 H new ATOM 1210 N ALA A 82 27.716 -3.742 -2.799 1.00 0.00 N ATOM 1211 CA ALA A 82 27.814 -5.189 -2.755 1.00 0.00 C ATOM 1212 C ALA A 82 29.273 -5.613 -2.619 1.00 0.00 C ATOM 1213 O ALA A 82 30.157 -5.031 -3.247 1.00 0.00 O ATOM 1214 CB ALA A 82 27.160 -5.787 -3.998 1.00 0.00 C ATOM 0 H ALA A 82 28.371 -3.298 -3.443 1.00 0.00 H new ATOM 0 HA ALA A 82 27.282 -5.567 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 82 27.235 -6.874 -3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 82 26.110 -5.497 -4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 82 27.667 -5.418 -4.889 1.00 0.00 H new ATOM 1220 N THR A 83 29.520 -6.631 -1.793 1.00 0.00 N ATOM 1221 CA THR A 83 30.869 -7.060 -1.448 1.00 0.00 C ATOM 1222 C THR A 83 30.888 -8.582 -1.332 1.00 0.00 C ATOM 1223 O THR A 83 29.860 -9.243 -1.478 1.00 0.00 O ATOM 1224 CB THR A 83 31.276 -6.418 -0.114 1.00 0.00 C ATOM 1225 OG1 THR A 83 30.286 -6.642 0.863 1.00 0.00 O ATOM 1226 CG2 THR A 83 31.480 -4.913 -0.274 1.00 0.00 C ATOM 0 H THR A 83 28.786 -7.180 -1.345 1.00 0.00 H new ATOM 0 HA THR A 83 31.575 -6.750 -2.219 1.00 0.00 H new ATOM 0 HB THR A 83 32.213 -6.877 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 83 30.194 -5.844 1.425 1.00 0.00 H new ATOM 0 HG21 THR A 83 31.768 -4.481 0.684 1.00 0.00 H new ATOM 0 HG22 THR A 83 32.266 -4.728 -1.006 1.00 0.00 H new ATOM 0 HG23 THR A 83 30.552 -4.454 -0.615 1.00 0.00 H new ATOM 1234 N GLY A 84 32.070 -9.147 -1.069 1.00 0.00 N ATOM 1235 CA GLY A 84 32.242 -10.588 -0.962 1.00 0.00 C ATOM 1236 C GLY A 84 33.425 -10.929 -0.064 1.00 0.00 C ATOM 1237 O GLY A 84 33.890 -10.083 0.697 1.00 0.00 O ATOM 0 H GLY A 84 32.929 -8.615 -0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 84 31.334 -11.038 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 84 32.398 -11.014 -1.953 1.00 0.00 H new ATOM 1241 N GLY A 85 33.912 -12.170 -0.155 1.00 0.00 N ATOM 1242 CA GLY A 85 35.003 -12.652 0.684 1.00 0.00 C ATOM 1243 C GLY A 85 36.337 -11.972 0.361 1.00 0.00 C ATOM 1244 O GLY A 85 37.321 -12.179 1.067 1.00 0.00 O ATOM 0 H GLY A 85 33.559 -12.865 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 85 34.755 -12.479 1.731 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.108 -13.729 0.555 1.00 0.00 H new ATOM 1248 N SER A 86 36.374 -11.159 -0.699 1.00 0.00 N ATOM 1249 CA SER A 86 37.569 -10.414 -1.076 1.00 0.00 C ATOM 1250 C SER A 86 37.201 -9.085 -1.741 1.00 0.00 C ATOM 1251 O SER A 86 38.071 -8.249 -1.970 1.00 0.00 O ATOM 1252 CB SER A 86 38.424 -11.266 -2.016 1.00 0.00 C ATOM 1253 OG SER A 86 37.722 -11.526 -3.213 1.00 0.00 O ATOM 0 H SER A 86 35.577 -11.002 -1.315 1.00 0.00 H new ATOM 0 HA SER A 86 38.140 -10.186 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 86 39.358 -10.749 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 86 38.687 -12.205 -1.529 1.00 0.00 H new ATOM 0 HG SER A 86 38.279 -12.070 -3.807 1.00 0.00 H new ATOM 1259 N ASP A 87 35.916 -8.884 -2.051 1.00 0.00 N ATOM 1260 CA ASP A 87 35.423 -7.635 -2.608 1.00 0.00 C ATOM 1261 C ASP A 87 34.991 -6.643 -1.526 1.00 0.00 C ATOM 1262 O ASP A 87 34.456 -5.580 -1.835 1.00 0.00 O ATOM 1263 CB ASP A 87 34.304 -7.908 -3.614 1.00 0.00 C ATOM 1264 CG ASP A 87 34.827 -8.582 -4.881 1.00 0.00 C ATOM 1265 OD1 ASP A 87 36.044 -8.453 -5.148 1.00 0.00 O ATOM 1266 OD2 ASP A 87 34.001 -9.218 -5.570 1.00 0.00 O ATOM 0 H ASP A 87 35.192 -9.590 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 87 36.249 -7.159 -3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 87 33.547 -8.542 -3.152 1.00 0.00 H new ATOM 0 HB3 ASP A 87 33.816 -6.970 -3.877 1.00 0.00 H new ATOM 1271 N ASP A 88 35.217 -6.990 -0.256 1.00 0.00 N ATOM 1272 CA ASP A 88 34.852 -6.148 0.876 1.00 0.00 C ATOM 1273 C ASP A 88 35.786 -4.950 1.055 1.00 0.00 C ATOM 1274 O ASP A 88 35.749 -4.278 2.086 1.00 0.00 O ATOM 1275 CB ASP A 88 34.733 -6.982 2.157 1.00 0.00 C ATOM 1276 CG ASP A 88 35.961 -7.852 2.431 1.00 0.00 C ATOM 1277 OD1 ASP A 88 35.881 -8.660 3.382 1.00 0.00 O ATOM 1278 OD2 ASP A 88 36.966 -7.708 1.701 1.00 0.00 O ATOM 0 H ASP A 88 35.661 -7.868 0.012 1.00 0.00 H new ATOM 0 HA ASP A 88 33.872 -5.725 0.656 1.00 0.00 H new ATOM 0 HB2 ASP A 88 34.574 -6.314 3.003 1.00 0.00 H new ATOM 0 HB3 ASP A 88 33.853 -7.621 2.085 1.00 0.00 H new ATOM 1283 N SER A 89 36.628 -4.684 0.052 1.00 0.00 N ATOM 1284 CA SER A 89 37.544 -3.551 0.058 1.00 0.00 C ATOM 1285 C SER A 89 36.819 -2.244 -0.269 1.00 0.00 C ATOM 1286 O SER A 89 37.404 -1.350 -0.880 1.00 0.00 O ATOM 1287 CB SER A 89 38.681 -3.806 -0.934 1.00 0.00 C ATOM 1288 OG SER A 89 39.428 -4.936 -0.529 1.00 0.00 O ATOM 0 H SER A 89 36.690 -5.256 -0.790 1.00 0.00 H new ATOM 0 HA SER A 89 37.960 -3.447 1.060 1.00 0.00 H new ATOM 0 HB2 SER A 89 38.275 -3.966 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 89 39.329 -2.932 -0.990 1.00 0.00 H new ATOM 0 HG SER A 89 40.153 -5.095 -1.169 1.00 0.00 H new ATOM 1294 N VAL A 90 35.547 -2.128 0.136 1.00 0.00 N ATOM 1295 CA VAL A 90 34.742 -0.944 -0.142 1.00 0.00 C ATOM 1296 C VAL A 90 35.405 0.295 0.462 1.00 0.00 C ATOM 1297 O VAL A 90 36.022 0.226 1.526 1.00 0.00 O ATOM 1298 CB VAL A 90 33.315 -1.152 0.381 1.00 0.00 C ATOM 1299 CG1 VAL A 90 33.300 -1.407 1.889 1.00 0.00 C ATOM 1300 CG2 VAL A 90 32.446 0.073 0.094 1.00 0.00 C ATOM 0 H VAL A 90 35.055 -2.850 0.662 1.00 0.00 H new ATOM 0 HA VAL A 90 34.678 -0.784 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 90 32.916 -2.024 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 90 32.273 -1.550 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 90 33.882 -2.301 2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 90 33.735 -0.552 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 90 31.439 -0.098 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 90 32.875 0.947 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 90 32.404 0.245 -0.981 1.00 0.00 H new ATOM 1310 N ASP A 91 35.274 1.431 -0.226 1.00 0.00 N ATOM 1311 CA ASP A 91 35.910 2.673 0.181 1.00 0.00 C ATOM 1312 C ASP A 91 35.189 3.217 1.418 1.00 0.00 C ATOM 1313 O ASP A 91 33.972 3.072 1.543 1.00 0.00 O ATOM 1314 CB ASP A 91 35.824 3.671 -0.977 1.00 0.00 C ATOM 1315 CG ASP A 91 36.665 4.928 -0.736 1.00 0.00 C ATOM 1316 OD1 ASP A 91 37.420 4.944 0.261 1.00 0.00 O ATOM 1317 OD2 ASP A 91 36.536 5.859 -1.562 1.00 0.00 O ATOM 0 H ASP A 91 34.723 1.510 -1.080 1.00 0.00 H new ATOM 0 HA ASP A 91 36.958 2.507 0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 91 36.157 3.186 -1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 91 34.783 3.958 -1.128 1.00 0.00 H new ATOM 1322 N SER A 92 35.936 3.846 2.330 1.00 0.00 N ATOM 1323 CA SER A 92 35.376 4.402 3.555 1.00 0.00 C ATOM 1324 C SER A 92 34.386 5.526 3.237 1.00 0.00 C ATOM 1325 O SER A 92 33.618 5.944 4.103 1.00 0.00 O ATOM 1326 CB SER A 92 36.508 4.923 4.437 1.00 0.00 C ATOM 1327 OG SER A 92 37.151 6.014 3.808 1.00 0.00 O ATOM 0 H SER A 92 36.943 3.981 2.236 1.00 0.00 H new ATOM 0 HA SER A 92 34.835 3.619 4.086 1.00 0.00 H new ATOM 0 HB2 SER A 92 36.113 5.232 5.405 1.00 0.00 H new ATOM 0 HB3 SER A 92 37.228 4.127 4.627 1.00 0.00 H new ATOM 0 HG SER A 92 37.874 6.342 4.382 1.00 0.00 H new ATOM 1333 N ARG A 93 34.405 6.010 1.990 1.00 0.00 N ATOM 1334 CA ARG A 93 33.485 7.030 1.514 1.00 0.00 C ATOM 1335 C ARG A 93 32.054 6.487 1.407 1.00 0.00 C ATOM 1336 O ARG A 93 31.117 7.259 1.217 1.00 0.00 O ATOM 1337 CB ARG A 93 34.000 7.540 0.168 1.00 0.00 C ATOM 1338 CG ARG A 93 33.066 8.580 -0.448 1.00 0.00 C ATOM 1339 CD ARG A 93 33.796 9.294 -1.581 1.00 0.00 C ATOM 1340 NE ARG A 93 32.867 10.077 -2.401 1.00 0.00 N ATOM 1341 CZ ARG A 93 32.503 11.334 -2.147 1.00 0.00 C ATOM 1342 NH1 ARG A 93 32.962 11.967 -1.069 1.00 0.00 N ATOM 1343 NH2 ARG A 93 31.671 11.963 -2.974 1.00 0.00 N ATOM 0 H ARG A 93 35.069 5.697 1.282 1.00 0.00 H new ATOM 0 HA ARG A 93 33.443 7.855 2.225 1.00 0.00 H new ATOM 0 HB2 ARG A 93 34.990 7.976 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 93 34.111 6.701 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 93 32.164 8.099 -0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 93 32.751 9.299 0.309 1.00 0.00 H new ATOM 0 HD2 ARG A 93 34.561 9.950 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 93 34.308 8.562 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 93 32.470 9.627 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 93 33.598 11.490 -0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 93 32.678 12.929 -0.883 1.00 0.00 H new ATOM 0 HH21 ARG A 93 31.313 11.483 -3.800 1.00 0.00 H new ATOM 0 HH22 ARG A 93 31.391 12.925 -2.782 1.00 0.00 H new ATOM 1357 N PHE A 94 31.882 5.166 1.532 1.00 0.00 N ATOM 1358 CA PHE A 94 30.570 4.547 1.415 1.00 0.00 C ATOM 1359 C PHE A 94 30.312 3.581 2.573 1.00 0.00 C ATOM 1360 O PHE A 94 29.278 2.922 2.597 1.00 0.00 O ATOM 1361 CB PHE A 94 30.477 3.800 0.082 1.00 0.00 C ATOM 1362 CG PHE A 94 30.828 4.650 -1.119 1.00 0.00 C ATOM 1363 CD1 PHE A 94 29.966 5.678 -1.529 1.00 0.00 C ATOM 1364 CD2 PHE A 94 32.008 4.400 -1.834 1.00 0.00 C ATOM 1365 CE1 PHE A 94 30.278 6.449 -2.657 1.00 0.00 C ATOM 1366 CE2 PHE A 94 32.322 5.173 -2.962 1.00 0.00 C ATOM 1367 CZ PHE A 94 31.454 6.193 -3.374 1.00 0.00 C ATOM 0 H PHE A 94 32.641 4.509 1.715 1.00 0.00 H new ATOM 0 HA PHE A 94 29.812 5.330 1.453 1.00 0.00 H new ATOM 0 HB2 PHE A 94 31.143 2.937 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 94 29.464 3.417 -0.039 1.00 0.00 H new ATOM 0 HD1 PHE A 94 29.061 5.876 -0.975 1.00 0.00 H new ATOM 0 HD2 PHE A 94 32.675 3.612 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 94 29.613 7.239 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 94 33.232 4.982 -3.512 1.00 0.00 H new ATOM 0 HZ PHE A 94 31.692 6.783 -4.246 1.00 0.00 H new ATOM 1377 N ARG A 95 31.235 3.487 3.536 1.00 0.00 N ATOM 1378 CA ARG A 95 31.027 2.625 4.696 1.00 0.00 C ATOM 1379 C ARG A 95 29.980 3.220 5.645 1.00 0.00 C ATOM 1380 O ARG A 95 29.521 2.544 6.564 1.00 0.00 O ATOM 1381 CB ARG A 95 32.357 2.372 5.406 1.00 0.00 C ATOM 1382 CG ARG A 95 33.205 1.433 4.547 1.00 0.00 C ATOM 1383 CD ARG A 95 34.521 1.092 5.246 1.00 0.00 C ATOM 1384 NE ARG A 95 35.368 0.270 4.370 1.00 0.00 N ATOM 1385 CZ ARG A 95 35.746 -0.984 4.638 1.00 0.00 C ATOM 1386 NH1 ARG A 95 35.392 -1.580 5.775 1.00 0.00 N ATOM 1387 NH2 ARG A 95 36.486 -1.643 3.754 1.00 0.00 N ATOM 0 H ARG A 95 32.121 3.992 3.533 1.00 0.00 H new ATOM 0 HA ARG A 95 30.638 1.666 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 95 32.883 3.313 5.568 1.00 0.00 H new ATOM 0 HB3 ARG A 95 32.183 1.931 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 95 32.649 0.518 4.344 1.00 0.00 H new ATOM 0 HG3 ARG A 95 33.411 1.901 3.584 1.00 0.00 H new ATOM 0 HD2 ARG A 95 35.046 2.009 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 95 34.319 0.557 6.174 1.00 0.00 H new ATOM 0 HE ARG A 95 35.690 0.686 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 95 34.823 -1.079 6.458 1.00 0.00 H new ATOM 0 HH12 ARG A 95 35.689 -2.537 5.963 1.00 0.00 H new ATOM 0 HH21 ARG A 95 36.760 -1.192 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 95 36.780 -2.600 3.948 1.00 0.00 H new ATOM 1401 N ASP A 96 29.605 4.483 5.415 1.00 0.00 N ATOM 1402 CA ASP A 96 28.501 5.126 6.116 1.00 0.00 C ATOM 1403 C ASP A 96 27.154 4.785 5.470 1.00 0.00 C ATOM 1404 O ASP A 96 26.119 5.316 5.869 1.00 0.00 O ATOM 1405 CB ASP A 96 28.722 6.641 6.169 1.00 0.00 C ATOM 1406 CG ASP A 96 29.945 7.030 7.003 1.00 0.00 C ATOM 1407 OD1 ASP A 96 30.284 8.235 6.984 1.00 0.00 O ATOM 1408 OD2 ASP A 96 30.527 6.130 7.648 1.00 0.00 O ATOM 0 H ASP A 96 30.065 5.086 4.733 1.00 0.00 H new ATOM 0 HA ASP A 96 28.474 4.744 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 96 28.842 7.022 5.155 1.00 0.00 H new ATOM 0 HB3 ASP A 96 27.836 7.119 6.586 1.00 0.00 H new ATOM 1413 N ARG A 97 27.178 3.895 4.470 1.00 0.00 N ATOM 1414 CA ARG A 97 26.008 3.487 3.706 1.00 0.00 C ATOM 1415 C ARG A 97 25.907 1.962 3.693 1.00 0.00 C ATOM 1416 O ARG A 97 26.908 1.275 3.909 1.00 0.00 O ATOM 1417 CB ARG A 97 26.114 4.072 2.289 1.00 0.00 C ATOM 1418 CG ARG A 97 25.951 5.600 2.281 1.00 0.00 C ATOM 1419 CD ARG A 97 24.503 6.039 2.537 1.00 0.00 C ATOM 1420 NE ARG A 97 24.132 5.909 3.954 1.00 0.00 N ATOM 1421 CZ ARG A 97 22.921 5.546 4.386 1.00 0.00 C ATOM 1422 NH1 ARG A 97 21.935 5.306 3.527 1.00 0.00 N ATOM 1423 NH2 ARG A 97 22.695 5.426 5.689 1.00 0.00 N ATOM 0 H ARG A 97 28.035 3.432 4.168 1.00 0.00 H new ATOM 0 HA ARG A 97 25.096 3.868 4.165 1.00 0.00 H new ATOM 0 HB2 ARG A 97 27.081 3.809 1.860 1.00 0.00 H new ATOM 0 HB3 ARG A 97 25.350 3.623 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 97 26.599 6.035 3.042 1.00 0.00 H new ATOM 0 HG3 ARG A 97 26.281 5.992 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 97 24.377 7.075 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 97 23.828 5.437 1.929 1.00 0.00 H new ATOM 0 HE ARG A 97 24.847 6.109 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 97 22.098 5.398 2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 97 21.015 5.030 3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 97 23.444 5.611 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 97 21.772 5.149 6.023 1.00 0.00 H new ATOM 1437 N PRO A 98 24.705 1.418 3.447 1.00 0.00 N ATOM 1438 CA PRO A 98 24.451 -0.010 3.539 1.00 0.00 C ATOM 1439 C PRO A 98 25.237 -0.783 2.490 1.00 0.00 C ATOM 1440 O PRO A 98 25.563 -0.254 1.425 1.00 0.00 O ATOM 1441 CB PRO A 98 22.948 -0.180 3.324 1.00 0.00 C ATOM 1442 CG PRO A 98 22.539 1.077 2.559 1.00 0.00 C ATOM 1443 CD PRO A 98 23.503 2.136 3.076 1.00 0.00 C ATOM 0 HA PRO A 98 24.767 -0.403 4.505 1.00 0.00 H new ATOM 0 HB2 PRO A 98 22.726 -1.083 2.755 1.00 0.00 H new ATOM 0 HB3 PRO A 98 22.416 -0.261 4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 98 22.633 0.940 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 98 21.502 1.348 2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 98 23.713 2.883 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 98 23.083 2.665 3.931 1.00 0.00 H new ATOM 1451 N VAL A 99 25.538 -2.045 2.793 1.00 0.00 N ATOM 1452 CA VAL A 99 26.247 -2.913 1.871 1.00 0.00 C ATOM 1453 C VAL A 99 25.811 -4.352 2.103 1.00 0.00 C ATOM 1454 O VAL A 99 25.843 -4.853 3.228 1.00 0.00 O ATOM 1455 CB VAL A 99 27.764 -2.749 2.059 1.00 0.00 C ATOM 1456 CG1 VAL A 99 28.188 -2.935 3.518 1.00 0.00 C ATOM 1457 CG2 VAL A 99 28.529 -3.772 1.218 1.00 0.00 C ATOM 0 H VAL A 99 25.296 -2.487 3.680 1.00 0.00 H new ATOM 0 HA VAL A 99 26.008 -2.641 0.843 1.00 0.00 H new ATOM 0 HB VAL A 99 28.001 -1.734 1.741 1.00 0.00 H new ATOM 0 HG11 VAL A 99 29.268 -2.810 3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 99 27.687 -2.193 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 99 27.911 -3.935 3.853 1.00 0.00 H new ATOM 0 HG21 VAL A 99 29.600 -3.637 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 99 28.244 -4.779 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 99 28.288 -3.630 0.164 1.00 0.00 H new ATOM 1467 N LEU A 100 25.400 -5.010 1.021 1.00 0.00 N ATOM 1468 CA LEU A 100 25.155 -6.443 1.022 1.00 0.00 C ATOM 1469 C LEU A 100 26.472 -7.166 0.740 1.00 0.00 C ATOM 1470 O LEU A 100 27.373 -6.594 0.132 1.00 0.00 O ATOM 1471 CB LEU A 100 24.084 -6.783 -0.014 1.00 0.00 C ATOM 1472 CG LEU A 100 22.739 -6.124 0.330 1.00 0.00 C ATOM 1473 CD1 LEU A 100 21.742 -6.408 -0.787 1.00 0.00 C ATOM 1474 CD2 LEU A 100 22.185 -6.692 1.638 1.00 0.00 C ATOM 0 H LEU A 100 25.229 -4.561 0.121 1.00 0.00 H new ATOM 0 HA LEU A 100 24.784 -6.770 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 100 24.411 -6.452 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 100 23.958 -7.864 -0.067 1.00 0.00 H new ATOM 0 HG LEU A 100 22.893 -5.051 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 100 20.786 -5.943 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 100 22.120 -6.000 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 100 21.606 -7.485 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 100 21.232 -6.215 1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 100 22.037 -7.767 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 100 22.891 -6.500 2.446 1.00 0.00 H new ATOM 1486 N GLN A 101 26.593 -8.418 1.181 1.00 0.00 N ATOM 1487 CA GLN A 101 27.843 -9.153 1.071 1.00 0.00 C ATOM 1488 C GLN A 101 27.561 -10.604 0.667 1.00 0.00 C ATOM 1489 O GLN A 101 26.974 -10.851 -0.387 1.00 0.00 O ATOM 1490 CB GLN A 101 28.603 -9.016 2.398 1.00 0.00 C ATOM 1491 CG GLN A 101 30.063 -9.458 2.264 1.00 0.00 C ATOM 1492 CD GLN A 101 30.893 -8.956 3.438 1.00 0.00 C ATOM 1493 OE1 GLN A 101 31.304 -9.738 4.291 1.00 0.00 O ATOM 1494 NE2 GLN A 101 31.132 -7.648 3.488 1.00 0.00 N ATOM 0 H GLN A 101 25.835 -8.942 1.619 1.00 0.00 H new ATOM 0 HA GLN A 101 28.480 -8.744 0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 101 28.566 -7.979 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 101 28.110 -9.616 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 101 30.115 -10.546 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 101 30.478 -9.077 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 101 30.771 -7.035 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 101 31.677 -7.258 4.257 1.00 0.00 H new ATOM 1503 N LYS A 102 27.974 -11.563 1.504 1.00 0.00 N ATOM 1504 CA LYS A 102 27.667 -12.978 1.335 1.00 0.00 C ATOM 1505 C LYS A 102 26.154 -13.181 1.239 1.00 0.00 C ATOM 1506 O LYS A 102 25.396 -12.266 1.569 1.00 0.00 O ATOM 1507 CB LYS A 102 28.315 -13.776 2.480 1.00 0.00 C ATOM 1508 CG LYS A 102 28.079 -13.176 3.875 1.00 0.00 C ATOM 1509 CD LYS A 102 26.614 -13.248 4.316 1.00 0.00 C ATOM 1510 CE LYS A 102 26.472 -12.861 5.789 1.00 0.00 C ATOM 1511 NZ LYS A 102 27.211 -13.783 6.668 1.00 0.00 N ATOM 0 H LYS A 102 28.540 -11.369 2.330 1.00 0.00 H new ATOM 0 HA LYS A 102 28.086 -13.352 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 102 27.927 -14.794 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 102 29.388 -13.841 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 102 28.698 -13.703 4.601 1.00 0.00 H new ATOM 0 HG3 LYS A 102 28.403 -12.135 3.877 1.00 0.00 H new ATOM 0 HD2 LYS A 102 26.011 -12.581 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 102 26.232 -14.257 4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 102 26.840 -11.845 5.936 1.00 0.00 H new ATOM 0 HE3 LYS A 102 25.418 -12.861 6.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 26.815 -13.739 7.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 27.127 -14.753 6.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 28.214 -13.509 6.694 1.00 0.00 H new ATOM 1525 N PRO A 103 25.687 -14.358 0.792 1.00 0.00 N ATOM 1526 CA PRO A 103 24.271 -14.635 0.622 1.00 0.00 C ATOM 1527 C PRO A 103 23.464 -14.216 1.848 1.00 0.00 C ATOM 1528 O PRO A 103 23.921 -14.354 2.982 1.00 0.00 O ATOM 1529 CB PRO A 103 24.173 -16.131 0.337 1.00 0.00 C ATOM 1530 CG PRO A 103 25.527 -16.462 -0.293 1.00 0.00 C ATOM 1531 CD PRO A 103 26.491 -15.500 0.393 1.00 0.00 C ATOM 0 HA PRO A 103 23.844 -14.059 -0.199 1.00 0.00 H new ATOM 0 HB2 PRO A 103 24.004 -16.703 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 103 23.349 -16.358 -0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 103 25.806 -17.501 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 103 25.513 -16.313 -1.373 1.00 0.00 H new ATOM 0 HD2 PRO A 103 26.963 -15.968 1.257 1.00 0.00 H new ATOM 0 HD3 PRO A 103 27.291 -15.199 -0.283 1.00 0.00 H new ATOM 1539 N PHE A 104 22.258 -13.700 1.608 1.00 0.00 N ATOM 1540 CA PHE A 104 21.444 -13.049 2.625 1.00 0.00 C ATOM 1541 C PHE A 104 19.996 -13.528 2.678 1.00 0.00 C ATOM 1542 O PHE A 104 19.457 -14.002 1.681 1.00 0.00 O ATOM 1543 CB PHE A 104 21.561 -11.530 2.495 1.00 0.00 C ATOM 1544 CG PHE A 104 21.765 -11.076 1.066 1.00 0.00 C ATOM 1545 CD1 PHE A 104 23.018 -10.600 0.659 1.00 0.00 C ATOM 1546 CD2 PHE A 104 20.713 -11.152 0.146 1.00 0.00 C ATOM 1547 CE1 PHE A 104 23.229 -10.226 -0.678 1.00 0.00 C ATOM 1548 CE2 PHE A 104 20.918 -10.771 -1.187 1.00 0.00 C ATOM 1549 CZ PHE A 104 22.179 -10.318 -1.600 1.00 0.00 C ATOM 0 H PHE A 104 21.817 -13.725 0.689 1.00 0.00 H new ATOM 0 HA PHE A 104 21.849 -13.349 3.592 1.00 0.00 H new ATOM 0 HB2 PHE A 104 20.659 -11.066 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 104 22.395 -11.181 3.104 1.00 0.00 H new ATOM 0 HD1 PHE A 104 23.823 -10.521 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 104 19.743 -11.504 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 104 24.198 -9.869 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 104 20.105 -10.826 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 104 22.341 -10.040 -2.631 1.00 0.00 H new ATOM 1559 N THR A 105 19.369 -13.403 3.851 1.00 0.00 N ATOM 1560 CA THR A 105 17.969 -13.762 4.040 1.00 0.00 C ATOM 1561 C THR A 105 17.018 -12.653 3.603 1.00 0.00 C ATOM 1562 O THR A 105 17.457 -11.571 3.208 1.00 0.00 O ATOM 1563 CB THR A 105 17.701 -14.189 5.486 1.00 0.00 C ATOM 1564 OG1 THR A 105 17.464 -13.044 6.274 1.00 0.00 O ATOM 1565 CG2 THR A 105 18.871 -14.972 6.073 1.00 0.00 C ATOM 0 H THR A 105 19.822 -13.050 4.694 1.00 0.00 H new ATOM 0 HA THR A 105 17.770 -14.615 3.392 1.00 0.00 H new ATOM 0 HB THR A 105 16.827 -14.841 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 105 17.290 -13.314 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 105 18.640 -15.256 7.100 1.00 0.00 H new ATOM 0 HG22 THR A 105 19.043 -15.869 5.478 1.00 0.00 H new ATOM 0 HG23 THR A 105 19.767 -14.351 6.061 1.00 0.00 H new ATOM 1573 N MET A 106 15.711 -12.919 3.676 1.00 0.00 N ATOM 1574 CA MET A 106 14.703 -11.930 3.334 1.00 0.00 C ATOM 1575 C MET A 106 14.827 -10.716 4.255 1.00 0.00 C ATOM 1576 O MET A 106 14.486 -9.601 3.864 1.00 0.00 O ATOM 1577 CB MET A 106 13.323 -12.578 3.462 1.00 0.00 C ATOM 1578 CG MET A 106 12.176 -11.616 3.127 1.00 0.00 C ATOM 1579 SD MET A 106 11.892 -11.329 1.358 1.00 0.00 S ATOM 1580 CE MET A 106 13.074 -9.991 1.052 1.00 0.00 C ATOM 0 H MET A 106 15.331 -13.818 3.971 1.00 0.00 H new ATOM 0 HA MET A 106 14.844 -11.585 2.310 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.270 -13.442 2.800 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.194 -12.948 4.479 1.00 0.00 H new ATOM 0 HG2 MET A 106 11.258 -12.005 3.567 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.377 -10.657 3.606 1.00 0.00 H new ATOM 0 HE1 MET A 106 12.928 -9.599 0.045 1.00 0.00 H new ATOM 0 HE2 MET A 106 12.917 -9.193 1.778 1.00 0.00 H new ATOM 0 HE3 MET A 106 14.090 -10.374 1.148 1.00 0.00 H new ATOM 1590 N ASP A 107 15.314 -10.932 5.481 1.00 0.00 N ATOM 1591 CA ASP A 107 15.508 -9.861 6.445 1.00 0.00 C ATOM 1592 C ASP A 107 16.827 -9.127 6.225 1.00 0.00 C ATOM 1593 O ASP A 107 16.984 -7.990 6.664 1.00 0.00 O ATOM 1594 CB ASP A 107 15.426 -10.415 7.868 1.00 0.00 C ATOM 1595 CG ASP A 107 14.024 -10.913 8.222 1.00 0.00 C ATOM 1596 OD1 ASP A 107 13.886 -11.456 9.340 1.00 0.00 O ATOM 1597 OD2 ASP A 107 13.108 -10.745 7.388 1.00 0.00 O ATOM 0 H ASP A 107 15.582 -11.854 5.826 1.00 0.00 H new ATOM 0 HA ASP A 107 14.710 -9.133 6.300 1.00 0.00 H new ATOM 0 HB2 ASP A 107 16.137 -11.234 7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 107 15.722 -9.639 8.574 1.00 0.00 H new ATOM 1602 N GLY A 108 17.783 -9.773 5.543 1.00 0.00 N ATOM 1603 CA GLY A 108 19.090 -9.178 5.300 1.00 0.00 C ATOM 1604 C GLY A 108 19.004 -8.079 4.247 1.00 0.00 C ATOM 1605 O GLY A 108 19.654 -7.042 4.373 1.00 0.00 O ATOM 0 H GLY A 108 17.668 -10.708 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 108 19.484 -8.766 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 108 19.788 -9.948 4.971 1.00 0.00 H new ATOM 1609 N VAL A 109 18.199 -8.294 3.204 1.00 0.00 N ATOM 1610 CA VAL A 109 17.988 -7.275 2.185 1.00 0.00 C ATOM 1611 C VAL A 109 17.038 -6.200 2.695 1.00 0.00 C ATOM 1612 O VAL A 109 17.133 -5.049 2.279 1.00 0.00 O ATOM 1613 CB VAL A 109 17.465 -7.912 0.897 1.00 0.00 C ATOM 1614 CG1 VAL A 109 18.365 -9.071 0.476 1.00 0.00 C ATOM 1615 CG2 VAL A 109 16.041 -8.436 1.083 1.00 0.00 C ATOM 0 H VAL A 109 17.687 -9.162 3.047 1.00 0.00 H new ATOM 0 HA VAL A 109 18.942 -6.798 1.961 1.00 0.00 H new ATOM 0 HB VAL A 109 17.465 -7.143 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.981 -9.515 -0.442 1.00 0.00 H new ATOM 0 HG12 VAL A 109 19.377 -8.703 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 109 18.381 -9.824 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 109 15.694 -8.884 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 109 16.030 -9.187 1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 109 15.383 -7.611 1.357 1.00 0.00 H new ATOM 1625 N ALA A 110 16.124 -6.566 3.597 1.00 0.00 N ATOM 1626 CA ALA A 110 15.214 -5.606 4.190 1.00 0.00 C ATOM 1627 C ALA A 110 15.985 -4.663 5.117 1.00 0.00 C ATOM 1628 O ALA A 110 15.560 -3.531 5.345 1.00 0.00 O ATOM 1629 CB ALA A 110 14.129 -6.354 4.963 1.00 0.00 C ATOM 0 H ALA A 110 16.001 -7.523 3.927 1.00 0.00 H new ATOM 0 HA ALA A 110 14.745 -5.009 3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.442 -5.637 5.411 1.00 0.00 H new ATOM 0 HB2 ALA A 110 13.581 -7.005 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 110 14.590 -6.954 5.748 1.00 0.00 H new ATOM 1635 N LYS A 111 17.121 -5.131 5.645 1.00 0.00 N ATOM 1636 CA LYS A 111 17.982 -4.335 6.500 1.00 0.00 C ATOM 1637 C LYS A 111 18.670 -3.242 5.691 1.00 0.00 C ATOM 1638 O LYS A 111 18.786 -2.109 6.153 1.00 0.00 O ATOM 1639 CB LYS A 111 19.012 -5.270 7.134 1.00 0.00 C ATOM 1640 CG LYS A 111 19.871 -4.544 8.165 1.00 0.00 C ATOM 1641 CD LYS A 111 20.903 -5.529 8.709 1.00 0.00 C ATOM 1642 CE LYS A 111 21.701 -4.907 9.858 1.00 0.00 C ATOM 1643 NZ LYS A 111 20.825 -4.567 10.995 1.00 0.00 N ATOM 0 H LYS A 111 17.463 -6.079 5.485 1.00 0.00 H new ATOM 0 HA LYS A 111 17.395 -3.846 7.278 1.00 0.00 H new ATOM 0 HB2 LYS A 111 18.500 -6.106 7.610 1.00 0.00 H new ATOM 0 HB3 LYS A 111 19.651 -5.688 6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 111 20.367 -3.687 7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 111 19.250 -4.160 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 111 20.401 -6.432 9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 111 21.582 -5.829 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 111 22.473 -5.603 10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 111 22.210 -4.009 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 21.399 -4.456 11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 20.326 -3.677 10.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 20.131 -5.328 11.138 1.00 0.00 H new ATOM 1657 N ALA A 112 19.127 -3.583 4.482 1.00 0.00 N ATOM 1658 CA ALA A 112 19.791 -2.627 3.611 1.00 0.00 C ATOM 1659 C ALA A 112 18.781 -1.646 3.016 1.00 0.00 C ATOM 1660 O ALA A 112 19.065 -0.453 2.911 1.00 0.00 O ATOM 1661 CB ALA A 112 20.528 -3.386 2.506 1.00 0.00 C ATOM 0 H ALA A 112 19.045 -4.521 4.089 1.00 0.00 H new ATOM 0 HA ALA A 112 20.510 -2.048 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 112 21.029 -2.676 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 112 21.268 -4.051 2.952 1.00 0.00 H new ATOM 0 HB3 ALA A 112 19.814 -3.973 1.929 1.00 0.00 H new ATOM 1667 N LEU A 113 17.601 -2.140 2.629 1.00 0.00 N ATOM 1668 CA LEU A 113 16.569 -1.296 2.038 1.00 0.00 C ATOM 1669 C LEU A 113 16.000 -0.335 3.084 1.00 0.00 C ATOM 1670 O LEU A 113 15.468 0.713 2.730 1.00 0.00 O ATOM 1671 CB LEU A 113 15.459 -2.176 1.459 1.00 0.00 C ATOM 1672 CG LEU A 113 15.933 -2.943 0.216 1.00 0.00 C ATOM 1673 CD1 LEU A 113 14.872 -3.970 -0.174 1.00 0.00 C ATOM 1674 CD2 LEU A 113 16.149 -1.993 -0.961 1.00 0.00 C ATOM 0 H LEU A 113 17.341 -3.122 2.716 1.00 0.00 H new ATOM 0 HA LEU A 113 17.009 -0.703 1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 113 15.123 -2.883 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 113 14.601 -1.556 1.199 1.00 0.00 H new ATOM 0 HG LEU A 113 16.877 -3.434 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 113 15.203 -4.518 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 113 14.720 -4.667 0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 113 13.935 -3.459 -0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 113 16.484 -2.560 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.213 -1.488 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 113 16.904 -1.253 -0.697 1.00 0.00 H new ATOM 1686 N ALA A 114 16.109 -0.683 4.373 1.00 0.00 N ATOM 1687 CA ALA A 114 15.682 0.204 5.444 1.00 0.00 C ATOM 1688 C ALA A 114 16.722 1.298 5.662 1.00 0.00 C ATOM 1689 O ALA A 114 16.375 2.417 6.031 1.00 0.00 O ATOM 1690 CB ALA A 114 15.488 -0.611 6.721 1.00 0.00 C ATOM 0 H ALA A 114 16.490 -1.574 4.691 1.00 0.00 H new ATOM 0 HA ALA A 114 14.738 0.678 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.168 0.048 7.528 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.729 -1.375 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 114 16.429 -1.089 6.994 1.00 0.00 H new ATOM 1696 N ALA A 115 18.000 0.978 5.432 1.00 0.00 N ATOM 1697 CA ALA A 115 19.082 1.936 5.574 1.00 0.00 C ATOM 1698 C ALA A 115 19.029 2.992 4.466 1.00 0.00 C ATOM 1699 O ALA A 115 19.676 4.033 4.575 1.00 0.00 O ATOM 1700 CB ALA A 115 20.411 1.193 5.559 1.00 0.00 C ATOM 0 H ALA A 115 18.304 0.048 5.143 1.00 0.00 H new ATOM 0 HA ALA A 115 18.976 2.460 6.524 1.00 0.00 H new ATOM 0 HB1 ALA A 115 21.228 1.907 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 115 20.440 0.483 6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 115 20.518 0.657 4.616 1.00 0.00 H new ATOM 1706 N LEU A 116 18.262 2.740 3.402 1.00 0.00 N ATOM 1707 CA LEU A 116 18.037 3.752 2.378 1.00 0.00 C ATOM 1708 C LEU A 116 17.199 4.909 2.929 1.00 0.00 C ATOM 1709 O LEU A 116 17.130 5.969 2.308 1.00 0.00 O ATOM 1710 CB LEU A 116 17.345 3.114 1.165 1.00 0.00 C ATOM 1711 CG LEU A 116 18.203 2.013 0.535 1.00 0.00 C ATOM 1712 CD1 LEU A 116 17.487 1.484 -0.707 1.00 0.00 C ATOM 1713 CD2 LEU A 116 19.572 2.553 0.123 1.00 0.00 C ATOM 0 H LEU A 116 17.792 1.851 3.232 1.00 0.00 H new ATOM 0 HA LEU A 116 19.000 4.157 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.386 2.697 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 116 17.135 3.882 0.421 1.00 0.00 H new ATOM 0 HG LEU A 116 18.348 1.220 1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 116 18.087 0.699 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 116 16.516 1.079 -0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 116 17.346 2.297 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 116 20.161 1.751 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 116 19.443 3.354 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 116 20.090 2.940 1.001 1.00 0.00 H new ATOM 1725 N LEU A 117 16.568 4.708 4.089 1.00 0.00 N ATOM 1726 CA LEU A 117 15.777 5.737 4.757 1.00 0.00 C ATOM 1727 C LEU A 117 16.444 6.145 6.071 1.00 0.00 C ATOM 1728 O LEU A 117 15.928 7.003 6.786 1.00 0.00 O ATOM 1729 CB LEU A 117 14.368 5.208 5.064 1.00 0.00 C ATOM 1730 CG LEU A 117 13.470 4.977 3.839 1.00 0.00 C ATOM 1731 CD1 LEU A 117 13.400 6.234 2.972 1.00 0.00 C ATOM 1732 CD2 LEU A 117 13.935 3.802 2.984 1.00 0.00 C ATOM 0 H LEU A 117 16.594 3.821 4.591 1.00 0.00 H new ATOM 0 HA LEU A 117 15.710 6.599 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 117 14.462 4.268 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 117 13.871 5.913 5.730 1.00 0.00 H new ATOM 0 HG LEU A 117 12.479 4.739 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 117 12.759 6.047 2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 117 12.990 7.057 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 117 14.401 6.496 2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 117 13.265 3.684 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 117 14.947 3.991 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 117 13.926 2.891 3.582 1.00 0.00 H new ATOM 1744 N VAL A 118 17.588 5.528 6.392 1.00 0.00 N ATOM 1745 CA VAL A 118 18.214 5.656 7.699 1.00 0.00 C ATOM 1746 C VAL A 118 19.725 5.792 7.549 1.00 0.00 C ATOM 1747 O VAL A 118 20.213 6.924 7.754 1.00 0.00 O ATOM 1748 CB VAL A 118 17.837 4.437 8.547 1.00 0.00 C ATOM 1749 CG1 VAL A 118 18.529 4.484 9.904 1.00 0.00 C ATOM 1750 CG2 VAL A 118 16.324 4.383 8.771 1.00 0.00 C ATOM 0 H VAL A 118 18.100 4.927 5.747 1.00 0.00 H new ATOM 0 HA VAL A 118 17.858 6.556 8.201 1.00 0.00 H new ATOM 0 HB VAL A 118 18.161 3.549 8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.245 3.608 10.488 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.610 4.491 9.761 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.228 5.387 10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 118 16.077 3.510 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.000 5.286 9.288 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.816 4.314 7.809 1.00 0.00 H new TER 1760 VAL A 118